[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

C15H14ClN3O4 — CID 18123039

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C15H14ClN3O4/c1-17-14(21)9-2-4-11(5-3-9)19-13(20)8-23-15(22)12-6-10(16)7-18-12/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyLUMQBISBYQGSLZ-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.82
Rot. Bonds5

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (PubChem CID 18123039) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
PubChem CID18123039
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C15H14ClN3O4/c1-17-14(21)9-2-4-11(5-3-9)19-13(20)8-23-15(22)12-6-10(16)7-18-12/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20)
InChIKeyLUMQBISBYQGSLZ-UHFFFAOYSA-N
XLogP1.82
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 55425680
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664457
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 9229708
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8627145
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 18122861
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 9009486
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-iodobenzoate
CID 27877619
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,5-dimethoxy-4-methylbenzoate
CID 34768194
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate
CID 9201449
[2-(4-methoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385461
ethyl N-[4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]phenyl]carbamate
CID 87018723
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 9491185

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate (CID 18123039) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is CNC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
The InChIKey is LUMQBISBYQGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-17-14(21)9-2-4-11(5-3-9)19-13(20)8-23-15(22)12-6-10(16)7-18-12/h2-7,18H,8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate has a molecular weight of 335.75 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 18123039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).