N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide

C23H21ClN2O2 — CID 4274954

IUPACN-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O2/c1-15-7-5-9-17(13-15)22(27)25-21(19-11-3-4-12-20(19)24)26-23(28)18-10-6-8-16(2)14-18/h3-14,21H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGTSUNLAEPFRMFB-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.82
Rot. Bonds5

About N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide

N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide (PubChem CID 4274954) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
PubChem CID4274954
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC NameN-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN2O2/c1-15-7-5-9-17(13-15)22(27)25-21(19-11-3-4-12-20(19)24)26-23(28)18-10-6-8-16(2)14-18/h3-14,21H,1-2H3,(H,25,27)(H,26,28)
InChIKeyGTSUNLAEPFRMFB-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-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

ethyl 3-(2-chlorophenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 5164713
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
(E)-N-[[[(E)-but-2-enoyl]amino]-(2-chlorophenyl)methyl]but-2-enamide
CID 132579335
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 17101552
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
N-[1-[(2-chlorophenyl)methyl-ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 112823548
3-methyl-N-[3-methyl-1-[1-(2-methylphenyl)ethylamino]-1-oxobutan-2-yl]benzamide
CID 112762442
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide (CID 4274954) is N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NC(NC(=O)c2cccc(C)c2)c2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
The InChIKey is GTSUNLAEPFRMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-15-7-5-9-17(13-15)22(27)25-21(19-11-3-4-12-20(19)24)26-23(28)18-10-6-8-16(2)14-18/h3-14,21H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide?
N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide has a molecular weight of 392.89 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 4274954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).