(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid

C17H14ClNO4 — CID 881673

IUPAC(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(/NC(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C17H14ClNO4/c1-23-15-9-5-2-6-11(15)10-14(17(21)22)19-16(20)12-7-3-4-8-13(12)18/h2-10H,1H3,(H,19,20)(H,21,22)/b14-10+
InChIKeyCJURIGYTGHIOBJ-GXDHUFHOSA-N
MW331.76 g/mol
LogP3.20
Rot. Bonds5

About (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid

(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 881673) has the molecular formula C17H14ClNO4 and a molecular weight of 331.76 g/mol. Its IUPAC name is (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID881673
Molecular FormulaC17H14ClNO4
Molecular Weight331.76 g/mol
Exact Mass331.06
IUPAC Name(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
SMILESCOc1ccccc1/C=C(/NC(=O)c1ccccc1Cl)C(=O)O
InChIInChI=1S/C17H14ClNO4/c1-23-15-9-5-2-6-11(15)10-14(17(21)22)19-16(20)12-7-3-4-8-13(12)18/h2-10H,1H3,(H,19,20)(H,21,22)/b14-10+
InChIKeyCJURIGYTGHIOBJ-GXDHUFHOSA-N
XLogP3.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 69147260
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
CID 3610354
(E)-2-benzamido-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 6209896
N-[(E)-3-(2-benzoylhydrazinyl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5336066
2-methoxy-N-[(E)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5341778
(E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-chlorobenzoyl)amino]prop-2-enoic acid
CID 22148447
N-[(Z)-1-(2-methoxyphenyl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 20835181
N-[(E)-3-[3-[[(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]propylamino]-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 139228873
N-[3-(2,3-dihydroindol-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3447883
N-[(Z)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2189845
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid (CID 881673) is (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid is COc1ccccc1/C=C(/NC(=O)c1ccccc1Cl)C(=O)O.
What is the InChIKey of (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is CJURIGYTGHIOBJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H14ClNO4/c1-23-15-9-5-2-6-11(15)10-14(17(21)22)19-16(20)12-7-3-4-8-13(12)18/h2-10H,1H3,(H,19,20)(H,21,22)/b14-10+.
What are the key properties of (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid?
(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 331.76 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 881673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).