2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide

C29H25ClN2O4 — CID 67010505

IUPAC2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C29H25ClN2O4/c30-26-14-8-7-13-25(26)28(33)32-27(20-35-19-21-9-3-1-4-10-21)29(34)31-22-15-17-24(18-16-22)36-23-11-5-2-6-12-23/h1-18,27H,19-20H2,(H,31,34)(H,32,33)
InChIKeyQQHDAVGEIDPWAL-UHFFFAOYSA-N
MW500.98 g/mol
LogP6.09
Rot. Bonds10

About 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide

2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide (PubChem CID 67010505) has the molecular formula C29H25ClN2O4 and a molecular weight of 500.98 g/mol. Its IUPAC name is 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
PubChem CID67010505
Molecular FormulaC29H25ClN2O4
Molecular Weight500.98 g/mol
Exact Mass500.15
IUPAC Name2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide
SMILESO=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl
InChIInChI=1S/C29H25ClN2O4/c30-26-14-8-7-13-25(26)28(33)32-27(20-35-19-21-9-3-1-4-10-21)29(34)31-22-15-17-24(18-16-22)36-23-11-5-2-6-12-23/h1-18,27H,19-20H2,(H,31,34)(H,32,33)
InChIKeyQQHDAVGEIDPWAL-UHFFFAOYSA-N
XLogP6.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.98
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-2-pyrrol-1-ylbenzamide
CID 67009292
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-1H-indene-4-carboxamide
CID 91426389
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]cyclopropanecarboxamide
CID 67009931
5-nitro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]furan-2-carboxamide
CID 89078446
2-[(2-chloroacetyl)amino]-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67010267
[2-oxo-2-[[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl] acetate
CID 70641269
(3S)-3-hydroxy-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]-3-phenylpropanamide
CID 90323705
3-methyl-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]pentanamide
CID 70641288
(2S)-2-amino-N-[4-(4-chlorophenoxy)phenyl]-3-phenylmethoxypropanamide
CID 67009405
[(Z)-azanidylmethylidene-[2-oxo-2-[[(2S)-1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]amino]ethyl]azaniumyl]azanide
CID 143978875
2-[[2-(2-hydroxyphenoxy)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 70641256

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide (CID 67010505) is 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide is O=C(NC(COCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide?
The InChIKey is QQHDAVGEIDPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25ClN2O4/c30-26-14-8-7-13-25(26)28(33)32-27(20-35-19-21-9-3-1-4-10-21)29(34)31-22-15-17-24(18-16-22)36-23-11-5-2-6-12-23/h1-18,27H,19-20H2,(H,31,34)(H,32,33).
What are the key properties of 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide?
2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide has a molecular weight of 500.98 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-oxo-1-(4-phenoxyanilino)-3-phenylmethoxypropan-2-yl]benzamide is sourced from PubChem (CID 67010505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).