(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

C17H13ClNO3- — CID 6014545

IUPAC(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C17H14ClNO3/c1-11-2-6-13(7-3-11)16(20)19-15(17(21)22)10-12-4-8-14(18)9-5-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10-
InChIKeyLDMSUNMGOMPXHB-GDNBJRDFSA-M
MW314.75 g/mol
LogP2.17
Rot. Bonds4

About (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate

(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (PubChem CID 6014545) has the molecular formula C17H13ClNO3- and a molecular weight of 314.75 g/mol. Its IUPAC name is (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Name(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
PubChem CID6014545
Molecular FormulaC17H13ClNO3-
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1
InChIInChI=1S/C17H14ClNO3/c1-11-2-6-13(7-3-11)16(20)19-15(17(21)22)10-12-4-8-14(18)9-5-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10-
InChIKeyLDMSUNMGOMPXHB-GDNBJRDFSA-M
XLogP2.17
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate
CID 2059163
N-[(E)-1-(4-chlorophenyl)-3-(methylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2188593
(2R)-2-[[(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]propanoic acid
CID 2282144
(2R)-2-[[(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]pentanoate
CID 2279852
(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
CID 2190329
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
(E)-2-[(4-chlorobenzoyl)amino]-3-(3,4-diethoxyphenyl)prop-2-enoate
CID 7481722
(Z)-2-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)prop-2-enoate
CID 2279163
N-[3-(4-chloroanilino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 4553025
N-[(E)-1-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2302588
methyl (E)-2-[(4-chlorobenzoyl)amino]-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 10522438
2-[[(E)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]octanoic acid
CID 6374448

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The IUPAC name of (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate (CID 6014545) is (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate.
What is the SMILES notation for (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The canonical SMILES for (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1.
What is the InChIKey of (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The InChIKey is LDMSUNMGOMPXHB-GDNBJRDFSA-M. The full InChI is InChI=1S/C17H14ClNO3/c1-11-2-6-13(7-3-11)16(20)19-15(17(21)22)10-12-4-8-14(18)9-5-12/h2-10H,1H3,(H,19,20)(H,21,22)/p-1/b15-10-.
What are the key properties of (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate?
(Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate has a molecular weight of 314.75 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chlorophenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 6014545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).