4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide

C13H14ClN3O — CID 61117966

IUPAC4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyMTLPIELWQWQTSK-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.74
Rot. Bonds3

About 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide

4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 61117966) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID61117966
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)c[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyMTLPIELWQWQTSK-UHFFFAOYSA-N
XLogP2.74
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
4-amino-N-butan-2-yl-1H-pyrrole-2-carboxamide
CID 43641940
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
4-chloro-N-[1-(2-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 134012860
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-chloro-1H-pyrrole-2-carboxamide
CID 18143595
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 61117966) is 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)c[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MTLPIELWQWQTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8(9-2-4-10(14)5-3-9)17-13(18)12-6-11(15)7-16-12/h2-8,16H,15H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-chlorophenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61117966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).