N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

C20H18ClN3O3 — CID 17195599

IUPACN-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-1-13(2-9-16)3-12-18(25)23-24-20(27)15-6-10-17(11-7-15)22-19(26)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,22,26)(H,23,25)(H,24,27)/b12-3+
InChIKeyHXFXHBGBKDYYMI-KGVSQERTSA-N
MW383.84 g/mol
LogP3.16
Rot. Bonds5

About N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide

N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (PubChem CID 17195599) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
PubChem CID17195599
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-1-13(2-9-16)3-12-18(25)23-24-20(27)15-6-10-17(11-7-15)22-19(26)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,22,26)(H,23,25)(H,24,27)/b12-3+
InChIKeyHXFXHBGBKDYYMI-KGVSQERTSA-N
XLogP3.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-(4-fluorophenyl)prop-2-enoylamino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 3415517
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 17176112
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
N-[4-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1416489
N-(4-chlorophenyl)-4-[(E)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]ethenyl]benzamide
CID 134119182
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
CID 2741847
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
N-[4-[[(4-phenylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4507519

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide (CID 17195599) is N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is O=C(/C=C/c1ccc(Cl)cc1)NNC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is HXFXHBGBKDYYMI-KGVSQERTSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-8-1-13(2-9-16)3-12-18(25)23-24-20(27)15-6-10-17(11-7-15)22-19(26)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,22,26)(H,23,25)(H,24,27)/b12-3+.
What are the key properties of N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide?
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17195599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).