4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H24ClN3O3 — CID 55573094

IUPAC4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-20-13-11-19(12-14-20)25(32)30-23(15-17-5-2-1-3-6-17)26(33)29-22-8-4-7-21(16-22)28-24(31)18-9-10-18/h1-8,11-14,16,18,23H,9-10,15H2,(H,28,31)(H,29,33)(H,30,32)
InChIKeyDPEWDOVUQATUOL-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.67
Rot. Bonds8

About 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 55573094) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID55573094
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-20-13-11-19(12-14-20)25(32)30-23(15-17-5-2-1-3-6-17)26(33)29-22-8-4-7-21(16-22)28-24(31)18-9-10-18/h1-8,11-14,16,18,23H,9-10,15H2,(H,28,31)(H,29,33)(H,30,32)
InChIKeyDPEWDOVUQATUOL-UHFFFAOYSA-N
XLogP4.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
3-[(2-benzamido-3-phenylpropanoyl)amino]-N-hydroxybenzamide
CID 178016044
4-chloro-N-[1-[4-[3-(dimethylamino)propanoylamino]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 146125938
4-chloro-N-[1-[3-(difluoromethoxy)-4-methoxyanilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55533344
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42904742
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
4-(cyclopropanecarbonylamino)-N-[(1S)-2-(3-hydroxyphenyl)-1-phenylethyl]benzamide
CID 97081272
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 55573094) is 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1cccc(NC(=O)C2CC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is DPEWDOVUQATUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-20-13-11-19(12-14-20)25(32)30-23(15-17-5-2-1-3-6-17)26(33)29-22-8-4-7-21(16-22)28-24(31)18-9-10-18/h1-8,11-14,16,18,23H,9-10,15H2,(H,28,31)(H,29,33)(H,30,32).
What are the key properties of 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide?
4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 461.95 g/mol, XLogP of 4.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-(cyclopropanecarbonylamino)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 55573094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).