4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate

C18H13ClNO5- — CID 2384695

IUPAC4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)/C=C(\NC(=O)c1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C18H14ClNO5/c1-25-16(21)10-15(11-2-4-13(5-3-11)18(23)24)20-17(22)12-6-8-14(19)9-7-12/h2-10H,1H3,(H,20,22)(H,23,24)/p-1/b15-10-
InChIKeyQHGVJAGGXKRYBW-GDNBJRDFSA-M
MW358.76 g/mol
LogP1.65
Rot. Bonds5

About 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate

4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate (PubChem CID 2384695) has the molecular formula C18H13ClNO5- and a molecular weight of 358.76 g/mol. Its IUPAC name is 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate
PubChem CID2384695
Molecular FormulaC18H13ClNO5-
Molecular Weight358.76 g/mol
Exact Mass358.05
IUPAC Name4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate
SMILESCOC(=O)/C=C(\NC(=O)c1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C18H14ClNO5/c1-25-16(21)10-15(11-2-4-13(5-3-11)18(23)24)20-17(22)12-6-8-14(19)9-7-12/h2-10H,1H3,(H,20,22)(H,23,24)/p-1/b15-10-
InChIKeyQHGVJAGGXKRYBW-GDNBJRDFSA-M
XLogP1.65
TPSA95.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate with MolForge

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Related Compounds

ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
methyl (Z)-4-amino-3-(4-chlorophenyl)-4-oxobut-2-enoate
CID 139808821
N-acetyl-4-chlorobenzamide
CID 11735747
methyl (Z)-3-(4-chlorophenyl)-4-dimethoxyphosphorylbut-2-enoate
CID 50907879
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
(Z)-1-(4-chlorophenyl)-4-methoxy-3,4-dioxobut-1-en-1-olate
CID 86311368
methyl (Z)-3-(4-chlorophenyl)-3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 70873325
methyl (E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 51050269
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
CID 101478074
bis(ethyl (Z)-3-acetamido-3-phenylprop-2-enoate);ethyl (Z)-3-benzamido-3-phenylprop-2-enoate;methyl 3-acetamidobut-2-enoate;methyl (Z)-3-acetamidobut-2-enoate;methyl (E)-3-acetamidobut-2-enoate
CID 161033990
N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate?
The IUPAC name of 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate (CID 2384695) is 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate.
What is the SMILES notation for 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate?
The canonical SMILES for 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate is COC(=O)/C=C(\NC(=O)c1ccc(Cl)cc1)c1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate?
The InChIKey is QHGVJAGGXKRYBW-GDNBJRDFSA-M. The full InChI is InChI=1S/C18H14ClNO5/c1-25-16(21)10-15(11-2-4-13(5-3-11)18(23)24)20-17(22)12-6-8-14(19)9-7-12/h2-10H,1H3,(H,20,22)(H,23,24)/p-1/b15-10-.
What are the key properties of 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate?
4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate has a molecular weight of 358.76 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxoprop-1-enyl]benzoate is sourced from PubChem (CID 2384695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).