N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

C31H28Cl2FN3O4 — CID 69196149

IUPACN-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C31H28Cl2FN3O4/c32-22-8-10-25(26(33)16-22)29(36-30(38)28-7-4-14-41-28)31(39)35-24(19-40-18-20-5-2-1-3-6-20)17-37-13-12-21-15-23(34)9-11-27(21)37/h1-11,14-16,24,29H,12-13,17-19H2,(H,35,39)(H,36,38)/t24-,29-/m1/s1
InChIKeyRPWIOZAFZTWKEY-FUFSCUOVSA-N
MW596.49 g/mol
LogP5.96
Rot. Bonds11

About N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 69196149) has the molecular formula C31H28Cl2FN3O4 and a molecular weight of 596.49 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID69196149
Molecular FormulaC31H28Cl2FN3O4
Molecular Weight596.49 g/mol
Exact Mass595.14
IUPAC NameN-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(N[C@@H](C(=O)N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)c1ccc(Cl)cc1Cl)c1ccco1
InChIInChI=1S/C31H28Cl2FN3O4/c32-22-8-10-25(26(33)16-22)29(36-30(38)28-7-4-14-41-28)31(39)35-24(19-40-18-20-5-2-1-3-6-20)17-37-13-12-21-15-23(34)9-11-27(21)37/h1-11,14-16,24,29H,12-13,17-19H2,(H,35,39)(H,36,38)/t24-,29-/m1/s1
InChIKeyRPWIOZAFZTWKEY-FUFSCUOVSA-N
XLogP5.96
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.49
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]-3,4-difluorobenzamide
CID 140529730
N-[(2S)-3-cyclohexyl-1-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-1-oxopropan-2-yl]-3-methoxybenzamide
CID 69195896
[1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175245404
(3S)-3-[[(2S)-4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-(5-fluoro-2,3-dihydroindol-1-yl)butanoic acid
CID 69194247
N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
N-[(2S)-3-(3-chlorophenyl)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 69194065
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
N-[(2S)-3-(4-chlorophenyl)-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 69194741
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9441486
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[1-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112764329
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 69196149) is N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(N[C@@H](C(=O)N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)c1ccc(Cl)cc1Cl)c1ccco1.
What is the InChIKey of N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is RPWIOZAFZTWKEY-FUFSCUOVSA-N. The full InChI is InChI=1S/C31H28Cl2FN3O4/c32-22-8-10-25(26(33)16-22)29(36-30(38)28-7-4-14-41-28)31(39)35-24(19-40-18-20-5-2-1-3-6-20)17-37-13-12-21-15-23(34)9-11-27(21)37/h1-11,14-16,24,29H,12-13,17-19H2,(H,35,39)(H,36,38)/t24-,29-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 596.49 g/mol, XLogP of 5.96, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dichlorophenyl)-2-[[(2R)-1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 69196149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).