2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide

C24H21ClF2N2O4 — CID 24576064

IUPAC2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)ccc2OC(F)F)cc1
InChIInChI=1S/C24H21ClF2N2O4/c1-14(28-23(31)18-5-3-4-6-20(18)25)22(30)29-16-9-12-21(33-24(26)27)19(13-16)15-7-10-17(32-2)11-8-15/h3-14,24H,1-2H3,(H,28,31)(H,29,30)/t14-/m0/s1
InChIKeyBWRMODDOWSURAQ-AWEZNQCLSA-N
MW474.89 g/mol
LogP5.37
Rot. Bonds8

About 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 24576064) has the molecular formula C24H21ClF2N2O4 and a molecular weight of 474.89 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID24576064
Molecular FormulaC24H21ClF2N2O4
Molecular Weight474.89 g/mol
Exact Mass474.12
IUPAC Name2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)ccc2OC(F)F)cc1
InChIInChI=1S/C24H21ClF2N2O4/c1-14(28-23(31)18-5-3-4-6-20(18)25)22(30)29-16-9-12-21(33-24(26)27)19(13-16)15-7-10-17(32-2)11-8-15/h3-14,24H,1-2H3,(H,28,31)(H,29,30)/t14-/m0/s1
InChIKeyBWRMODDOWSURAQ-AWEZNQCLSA-N
XLogP5.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.89
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-[(2-methoxyacetyl)amino]propanamide
CID 51939888
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2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
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N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-fluoro-4-methoxybenzamide
CID 24513384
2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
CID 134087446
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597982
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-methylthiophene-2-carboxamide
CID 46674438
2-chloro-N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 4052951
2-chloro-N-[1-(3,4-dipropoxyanilino)-1-oxopropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide (CID 24576064) is 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide is COc1ccc(-c2cc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)ccc2OC(F)F)cc1.
What is the InChIKey of 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is BWRMODDOWSURAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H21ClF2N2O4/c1-14(28-23(31)18-5-3-4-6-20(18)25)22(30)29-16-9-12-21(33-24(26)27)19(13-16)15-7-10-17(32-2)11-8-15/h3-14,24H,1-2H3,(H,28,31)(H,29,30)/t14-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 474.89 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 24576064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).