(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

C20H18ClFN2O2 — CID 8755176

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-13(20(25)24-17-10-9-15(22)12-16(17)21)23-19(18-8-5-11-26-18)14-6-3-2-4-7-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19+/m0/s1
InChIKeyNYIJQUBCNWMHNH-ORAYPTAESA-N
MW372.83 g/mol
LogP4.78
Rot. Bonds6

About (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (PubChem CID 8755176) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
PubChem CID8755176
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
SMILESC[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C20H18ClFN2O2/c1-13(20(25)24-17-10-9-15(22)12-16(17)21)23-19(18-8-5-11-26-18)14-6-3-2-4-7-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19+/m0/s1
InChIKeyNYIJQUBCNWMHNH-ORAYPTAESA-N
XLogP4.78
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755484
(2R)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755480
(2S)-N-(4-chlorophenyl)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755478
(2S)-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 8755326
N-(2-chloro-4-fluorophenyl)-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 78636483
1-(2-chloro-4-fluorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890476
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
2-amino-N-(2-chloro-4-fluorophenyl)-2-phenylacetamide
CID 43150560
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2R,3S)-N-(2-chloro-4-fluorophenyl)-3-methyl-2-phenylpentanamide
CID 25477648

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide (CID 8755176) is (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is C[C@H](N[C@H](c1ccccc1)c1ccco1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
The InChIKey is NYIJQUBCNWMHNH-ORAYPTAESA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-13(20(25)24-17-10-9-15(22)12-16(17)21)23-19(18-8-5-11-26-18)14-6-3-2-4-7-14/h2-13,19,23H,1H3,(H,24,25)/t13-,19+/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide has a molecular weight of 372.83 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide is sourced from PubChem (CID 8755176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).