2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide

C25H23Cl2N3O3 — CID 55653915

IUPAC2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O3/c1-30(16-23(31)28-19-11-7-10-18(26)14-19)24(32)15-22(17-8-3-2-4-9-17)29-25(33)20-12-5-6-13-21(20)27/h2-14,22H,15-16H2,1H3,(H,28,31)(H,29,33)
InChIKeyXSPUJJWGLSPADP-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.95
Rot. Bonds8

About 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55653915) has the molecular formula C25H23Cl2N3O3 and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55653915
Molecular FormulaC25H23Cl2N3O3
Molecular Weight484.38 g/mol
Exact Mass483.11
IUPAC Name2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H23Cl2N3O3/c1-30(16-23(31)28-19-11-7-10-18(26)14-19)24(32)15-22(17-8-3-2-4-9-17)29-25(33)20-12-5-6-13-21(20)27/h2-14,22H,15-16H2,1H3,(H,28,31)(H,29,33)
InChIKeyXSPUJJWGLSPADP-UHFFFAOYSA-N
XLogP4.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]phenoxy]acetate
CID 46425036
N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46612416
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
[2-(3-fluoroanilino)-2-oxoethyl] (3R)-3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 2364120
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 38644459
(2S)-2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 166239591
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
2-chloro-N-[(1S)-3-[2-(2-methylpropanoylamino)ethylamino]-3-oxo-1-phenylpropyl]benzamide
CID 93235676
N-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 112794160
N-[3-(butan-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4806734
N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-4-oxobutan-2-yl]benzamide
CID 55379421
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide (CID 55653915) is 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)CC(NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is XSPUJJWGLSPADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O3/c1-30(16-23(31)28-19-11-7-10-18(26)14-19)24(32)15-22(17-8-3-2-4-9-17)29-25(33)20-12-5-6-13-21(20)27/h2-14,22H,15-16H2,1H3,(H,28,31)(H,29,33).
What are the key properties of 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 484.38 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55653915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).