N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide

C20H20ClN3O3 — CID 17179166

IUPACN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-4-2-1-3-13(17)9-12-18(25)23-24-20(27)15-7-10-16(11-8-15)22-19(26)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyUGXVQKKCLYIQGN-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 17179166) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID17179166
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CCc1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-4-2-1-3-13(17)9-12-18(25)23-24-20(27)15-7-10-16(11-8-15)22-19(26)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9,12H2,(H,22,26)(H,23,25)(H,24,27)
InChIKeyUGXVQKKCLYIQGN-UHFFFAOYSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.08
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-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]acetamide
CID 17179121
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
2-chloro-N-[[[4-(cyclopropanecarbonylamino)benzoyl]amino]carbamothioyl]benzamide
CID 3542789
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
1-[3-(2-chlorophenyl)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 34081968
N-[4-(azepane-1-carbonyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17199159
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N'-[3-(2-chlorophenyl)propanoyl]pyridine-3-carbohydrazide
CID 30944808
N-[4-[[[2-(2-bromo-4,6-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17096567

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 17179166) is N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(CCc1ccccc1Cl)NNC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is UGXVQKKCLYIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-17-4-2-1-3-13(17)9-12-18(25)23-24-20(27)15-7-10-16(11-8-15)22-19(26)14-5-6-14/h1-4,7-8,10-11,14H,5-6,9,12H2,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-chlorophenyl)propanoylamino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17179166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).