4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide

C22H26ClN3O3 — CID 55575717

IUPAC4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-14(2)12-19(26-21(28)17-8-10-18(23)11-9-17)22(29)25-13-15-4-6-16(7-5-15)20(27)24-3/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyTZNLZYWSOGYIHW-UHFFFAOYSA-N
MW415.92 g/mol
LogP3.16
Rot. Bonds8

About 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide

4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide (PubChem CID 55575717) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
PubChem CID55575717
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H26ClN3O3/c1-14(2)12-19(26-21(28)17-8-10-18(23)11-9-17)22(29)25-13-15-4-6-16(7-5-15)20(27)24-3/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyTZNLZYWSOGYIHW-UHFFFAOYSA-N
XLogP3.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide 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

4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-chloro-N-[(2S)-1-[(2-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 8871221
4-chloro-N-[(2R)-4-methyl-1-oxo-1-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentan-2-yl]benzamide
CID 9300609
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
4-chloro-N-[(2R)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 35513680
2,4-dichloro-N-[1-[(4-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 42987197
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
2,4-dichloro-N-[4-methyl-1-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]pentan-2-yl]benzamide
CID 43043485
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide (CID 55575717) is 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide?
The InChIKey is TZNLZYWSOGYIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-14(2)12-19(26-21(28)17-8-10-18(23)11-9-17)22(29)25-13-15-4-6-16(7-5-15)20(27)24-3/h4-11,14,19H,12-13H2,1-3H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide?
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide has a molecular weight of 415.92 g/mol, XLogP of 3.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55575717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).