4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide

C14H16ClN3O2 — CID 43642694

IUPAC4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-3-18-8-9(16)6-12(18)14(19)17-10-4-5-13(20-2)11(15)7-10/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyPCFXVQYIVDCQKC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide

4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (PubChem CID 43642694) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
PubChem CID43642694
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2/c1-3-18-8-9(16)6-12(18)14(19)17-10-4-5-13(20-2)11(15)7-10/h4-8H,3,16H2,1-2H3,(H,17,19)
InChIKeyPCFXVQYIVDCQKC-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(4-chloro-3-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107300902
4-amino-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 43642862
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 62814950
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
5-amino-N-(3-chloro-4-methoxyphenyl)furan-2-carboxamide
CID 82344272
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 61103364
4-amino-N-(5-chloro-2-pyridinyl)-1-ethylpyrrole-2-carboxamide
CID 43643180
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367
butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide (CID 43642694) is 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is PCFXVQYIVDCQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-18-8-9(16)6-12(18)14(19)17-10-4-5-13(20-2)11(15)7-10/h4-8H,3,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide?
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 43642694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).