2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide

C18H20ClN3O2 — CID 13381482

IUPAC2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)NCCCCl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)21-17(23)15-5-2-3-6-16(15)22-18(24)20-12-4-11-19/h2-3,5-10H,4,11-12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyIQOLCKZKWYHEQN-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.00
Rot. Bonds6

About 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide

2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide (PubChem CID 13381482) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide
PubChem CID13381482
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)NCCCCl)cc1
InChIInChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)21-17(23)15-5-2-3-6-16(15)22-18(24)20-12-4-11-19/h2-3,5-10H,4,11-12H2,1H3,(H,21,23)(H2,20,22,24)
InChIKeyIQOLCKZKWYHEQN-UHFFFAOYSA-N
XLogP4.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-(ethylsulfonylamino)-N-(4-methylphenyl)benzamide
CID 51179285
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-butyl-2-(phenylcarbamoylamino)benzamide
CID 19629104
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
ethyl 2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]acetate
CID 12735876
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
methyl 2-[2-(4-methylphenyl)ethylcarbamoylamino]benzoate
CID 108891044

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide (CID 13381482) is 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)NCCCCl)cc1.
What is the InChIKey of 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide?
The InChIKey is IQOLCKZKWYHEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-7-9-14(10-8-13)21-17(23)15-5-2-3-6-16(15)22-18(24)20-12-4-11-19/h2-3,5-10H,4,11-12H2,1H3,(H,21,23)(H2,20,22,24).
What are the key properties of 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide?
2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropylcarbamoylamino)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 13381482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).