4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide

C14H16ClN3O2 — CID 61104697

IUPAC4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H16ClN3O2/c1-3-20-13-5-4-9(15)6-11(13)17-14(19)12-7-10(16)8-18(12)2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyMQDNKHLTOURMBX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide (PubChem CID 61104697) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
PubChem CID61104697
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H16ClN3O2/c1-3-20-13-5-4-9(15)6-11(13)17-14(19)12-7-10(16)8-18(12)2/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyMQDNKHLTOURMBX-UHFFFAOYSA-N
XLogP2.91
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
4-amino-N-(5-chloro-2-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642936
2,4-dichloro-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 4779142
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
4-bromo-N-(5-chloro-2-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43411016
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642876
N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30858986
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide (CID 61104697) is 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide is CCOc1ccc(Cl)cc1NC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MQDNKHLTOURMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-20-13-5-4-9(15)6-11(13)17-14(19)12-7-10(16)8-18(12)2/h4-8H,3,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-ethoxyphenyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 61104697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).