N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide

C19H18ClN3O3 — CID 46450403

IUPACN-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-16(11)19(26)21-15-7-3-5-13(10-15)18(25)23-22-17(24)12-4-2-6-14(20)9-12/h2-7,9-11,16H,8H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyLZLVFQRZUHVVAB-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.01
Rot. Bonds4

About N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide

N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 46450403) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID46450403
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-16(11)19(26)21-15-7-3-5-13(10-15)18(25)23-22-17(24)12-4-2-6-14(20)9-12/h2-7,9-11,16H,8H2,1H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyLZLVFQRZUHVVAB-UHFFFAOYSA-N
XLogP3.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
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

trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650261
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
N-(4-hydroxycyclohexyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110888559
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
1-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71941988
1-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97023036
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 46450403) is N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is LZLVFQRZUHVVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-8-16(11)19(26)21-15-7-3-5-13(10-15)18(25)23-22-17(24)12-4-2-6-14(20)9-12/h2-7,9-11,16H,8H2,1H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 371.82 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-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46450403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).