4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide

C11H10ClN3O — CID 43642230

IUPAC4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C11H10ClN3O/c12-7-2-1-3-9(4-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16)
InChIKeyVFLLGXRXJHTXHI-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.50
Rot. Bonds2

About 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642230) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
PubChem CID43642230
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C11H10ClN3O/c12-7-2-1-3-9(4-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16)
InChIKeyVFLLGXRXJHTXHI-UHFFFAOYSA-N
XLogP2.50
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-(3-chloro-4-cyanophenyl)-1H-pyrrole-2-carboxamide
CID 43643375
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
3-[(4-chloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 28741856
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
4-amino-N-(1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43643095
4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43643197
4-amino-3,5-dichloro-N-(3-chlorophenyl)benzamide
CID 82832479
N-(3-chlorophenyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 60591173
4-amino-N-(4-bromo-2-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43643363
4-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 43642778
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide (CID 43642230) is 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VFLLGXRXJHTXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-7-2-1-3-9(4-7)15-11(16)10-5-8(13)6-14-10/h1-6,14H,13H2,(H,15,16).
What are the key properties of 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).