4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

C14H16ClN3O — CID 54978696

IUPAC4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H16ClN3O/c1-17-9-12(16)7-13(17)14(19)18(2)8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3
InChIKeyZHZCCEBRHNBOLW-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 54978696) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID54978696
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C
InChIInChI=1S/C14H16ClN3O/c1-17-9-12(16)7-13(17)14(19)18(2)8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3
InChIKeyZHZCCEBRHNBOLW-UHFFFAOYSA-N
XLogP2.53
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-chlorophenyl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 61118290
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
2,4-diamino-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118647
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
4-amino-N,1-dimethyl-N-(3-phenylpropyl)pyrrole-2-carboxamide
CID 43644054
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61106865
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 61109695
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
4-amino-N-(cyclohexylmethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 61110308
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide (CID 54978696) is 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is ZHZCCEBRHNBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-17-9-12(16)7-13(17)14(19)18(2)8-10-3-5-11(15)6-4-10/h3-7,9H,8,16H2,1-2H3.
What are the key properties of 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 54978696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).