2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide

C19H17ClN2O2 — CID 8700153

IUPAC2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H17ClN2O2/c20-14-5-3-4-13(12-14)8-11-18(23)22-17-7-2-1-6-16(17)19(24)21-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,23)/b11-8+
InChIKeyWFAQALXXUMZOEY-DHZHZOJOSA-N
MW340.81 g/mol
LogP3.88
Rot. Bonds5

About 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide

2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide (PubChem CID 8700153) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
PubChem CID8700153
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C19H17ClN2O2/c20-14-5-3-4-13(12-14)8-11-18(23)22-17-7-2-1-6-16(17)19(24)21-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,23)/b11-8+
InChIKeyWFAQALXXUMZOEY-DHZHZOJOSA-N
XLogP3.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoylamino]benzamide
CID 75616751
N-cyclopropyl-2-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 7944497
2-[3-(2-bromophenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513688
2-[3-(1,3-benzodioxol-5-yl)prop-2-enoylamino]-N-cyclohexylbenzamide
CID 1286179
2-[3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)prop-2-enoylamino]-N-cyclopropylbenzamide
CID 74513680
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
N-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)prop-2-enamide
CID 4181979
N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
(E)-3-(3-chlorophenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 2521630
5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]benzoic acid
CID 23292129
(E)-3-(3-chlorophenyl)-N-[4-[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6167581
N-cyclohexyl-2-[3-(2-methoxyphenyl)prop-2-enoylamino]benzamide
CID 4923184

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide (CID 8700153) is 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide is O=C(/C=C/c1cccc(Cl)c1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
The InChIKey is WFAQALXXUMZOEY-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-14-5-3-4-13(12-14)8-11-18(23)22-17-7-2-1-6-16(17)19(24)21-15-9-10-15/h1-8,11-12,15H,9-10H2,(H,21,24)(H,22,23)/b11-8+.
What are the key properties of 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide?
2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide has a molecular weight of 340.81 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 8700153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).