4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide

C15H18ClN3O — CID 61111186

IUPAC4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-2-19-10-13(17)9-14(19)15(20)18-7-6-11-4-3-5-12(16)8-11/h3-5,8-10H,2,6-7,17H2,1H3,(H,18,20)
InChIKeyGPOWRKDMZZMAPM-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide

4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide (PubChem CID 61111186) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
PubChem CID61111186
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-2-19-10-13(17)9-14(19)15(20)18-7-6-11-4-3-5-12(16)8-11/h3-5,8-10H,2,6-7,17H2,1H3,(H,18,20)
InChIKeyGPOWRKDMZZMAPM-UHFFFAOYSA-N
XLogP2.72
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-ethyl-N-[2-(3-methoxyphenyl)ethyl]pyrrole-2-carboxamide
CID 107843317
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
2-(3-chlorophenyl)ethylurea
CID 127513466
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
4-amino-1-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 114182801
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide (CID 61111186) is 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
The InChIKey is GPOWRKDMZZMAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-19-10-13(17)9-14(19)15(20)18-7-6-11-4-3-5-12(16)8-11/h3-5,8-10H,2,6-7,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide?
4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-chlorophenyl)ethyl]-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 61111186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).