methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate

C13H15ClN2O3 — CID 10540901

IUPACmethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-16(2)8-11(13(18)19-3)15-12(17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H,15,17)/b11-8-
InChIKeyAOPIDYFTKYWBAZ-FLIBITNWSA-N
MW282.73 g/mol
LogP1.65
Rot. Bonds4

About methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate

methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate (PubChem CID 10540901) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate
PubChem CID10540901
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Namemethyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)/C(=C/N(C)C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O3/c1-16(2)8-11(13(18)19-3)15-12(17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H,15,17)/b11-8-
InChIKeyAOPIDYFTKYWBAZ-FLIBITNWSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(dimethylamino)-2-(thiophene-2-carbonylamino)prop-2-enoate
CID 6116653
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
(E)-2-[(2-chlorobenzoyl)amino]-3-(2-methoxyphenyl)prop-2-enoic acid
CID 881673
methyl (Z)-3-(dimethylamino)-2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]prop-2-enoate
CID 10685920
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
methyl (E)-2-(2,4-dichlorophenyl)-3-(dimethylamino)prop-2-enoate
CID 127255917
methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
CID 66987424
tert-butyl N-(2-chlorobenzoyl)carbamate
CID 140878254
1-(2-chlorophenyl)-2-(dimethylaminomethylidene)butane-1,3-dione
CID 67435184
N-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]benzamide
CID 12030798
2-chloro-N-[(Z)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2280061
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-chlorobenzamide
CID 4626889

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate (CID 10540901) is methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate is COC(=O)/C(=C/N(C)C)NC(=O)c1ccccc1Cl.
What is the InChIKey of methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate?
The InChIKey is AOPIDYFTKYWBAZ-FLIBITNWSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-16(2)8-11(13(18)19-3)15-12(17)9-6-4-5-7-10(9)14/h4-8H,1-3H3,(H,15,17)/b11-8-.
What are the key properties of methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate?
methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate has a molecular weight of 282.73 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[(2-chlorobenzoyl)amino]-3-(dimethylamino)prop-2-enoate is sourced from PubChem (CID 10540901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).