N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide

C20H24ClN3O2 — CID 54832394

IUPACN-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNCc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-11-23-20(26)15-8-6-9-17(12-15)24-19(25)14-22-13-16-7-4-5-10-18(16)21/h4-10,12,22H,2-3,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyHYDZZQAGUDZYGZ-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.60
Rot. Bonds9

About N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide

N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide (PubChem CID 54832394) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
PubChem CID54832394
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNCc2ccccc2Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-2-3-11-23-20(26)15-8-6-9-17(12-15)24-19(25)14-22-13-16-7-4-5-10-18(16)21/h4-10,12,22H,2-3,11,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyHYDZZQAGUDZYGZ-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54832679
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838983
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-[3-(2-chlorophenyl)propanoylcarbamothioylamino]benzamide
CID 17197318
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
3-[[2-(hexadecylamino)acetyl]amino]-N-propylbenzamide
CID 54808714

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide (CID 54832394) is N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNCc2ccccc2Cl)c1.
What is the InChIKey of N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide?
The InChIKey is HYDZZQAGUDZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-3-11-23-20(26)15-8-6-9-17(12-15)24-19(25)14-22-13-16-7-4-5-10-18(16)21/h4-10,12,22H,2-3,11,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide?
N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide has a molecular weight of 373.88 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 54832394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).