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

C14H16ClN3O — CID 61117628

IUPAC4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9(11-5-3-4-6-12(11)15)17-14(19)13-7-10(16)8-18(13)2/h3-9H,16H2,1-2H3,(H,17,19)
InChIKeyUVTAPNOGBWYLKD-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.75
Rot. Bonds3

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

4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 61117628) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID61117628
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C)c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O/c1-9(11-5-3-4-6-12(11)15)17-14(19)13-7-10(16)8-18(13)2/h3-9H,16H2,1-2H3,(H,17,19)
InChIKeyUVTAPNOGBWYLKD-UHFFFAOYSA-N
XLogP2.75
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
4-amino-1-methyl-N-(1-thiophen-3-ylethyl)pyrrole-2-carboxamide
CID 62841289
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107861847
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]propanamide
CID 81378427
3,6-dichloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-4-carboxamide
CID 103606462
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999236
4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 61118471
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 61117628) is 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C)c1ccccc1Cl.
What is the InChIKey of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is UVTAPNOGBWYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9(11-5-3-4-6-12(11)15)17-14(19)13-7-10(16)8-18(13)2/h3-9H,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-chlorophenyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61117628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).