N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

C18H15Cl2N3O3 — CID 17133633

IUPACN-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-7-12(8-14(20)9-13)18(26)23-22-17(25)11-3-5-15(6-4-11)21-16(24)10-1-2-10/h3-10H,1-2H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCIWBGJPJPGZSFS-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.42
Rot. Bonds4

About N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 17133633) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID17133633
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(NNC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H15Cl2N3O3/c19-13-7-12(8-14(20)9-13)18(26)23-22-17(25)11-3-5-15(6-4-11)21-16(24)10-1-2-10/h3-10H,1-2H2,(H,21,24)(H,22,25)(H,23,26)
InChIKeyCIWBGJPJPGZSFS-UHFFFAOYSA-N
XLogP3.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.42
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

N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17195599
trans-(1R,2R)-2-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 6547888
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17096567
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509550
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
2-chloro-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide
CID 3542789
4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
CID 17172152
N-[4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 31421628
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17179166
N-[4-(methylaminocarbamoyl)phenyl]cyclobutanecarboxamide
CID 177007541
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 17133633) is N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(NNC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CIWBGJPJPGZSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-13-7-12(8-14(20)9-13)18(26)23-22-17(25)11-3-5-15(6-4-11)21-16(24)10-1-2-10/h3-10H,1-2H2,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 392.24 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17133633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).