N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide

C18H18ClN3O3 — CID 4940345

IUPACN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(2)16(23)20-15-8-6-12(7-9-15)17(24)21-22-18(25)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyCLJZLTQKKLFLIA-UHFFFAOYSA-N
MW359.81 g/mol
LogP3.01
Rot. Bonds4

About N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide

N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide (PubChem CID 4940345) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
PubChem CID4940345
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(2)16(23)20-15-8-6-12(7-9-15)17(24)21-22-18(25)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyCLJZLTQKKLFLIA-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamoyl]benzoate
CID 17175464
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
2-methyl-N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]propanamide
CID 1263273
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189296

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide (CID 4940345) is N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
The InChIKey is CLJZLTQKKLFLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(2)16(23)20-15-8-6-12(7-9-15)17(24)21-22-18(25)13-4-3-5-14(19)10-13/h3-11H,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide?
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide has a molecular weight of 359.81 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 4940345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).