4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

C13H13Cl2N3O — CID 61107986

IUPAC4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-18(13(19)12-5-11(16)6-17-12)7-8-2-9(14)4-10(15)3-8/h2-6,17H,7,16H2,1H3
InChIKeyRYLSXBODLVOMKF-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.18
Rot. Bonds3

About 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide

4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 61107986) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID61107986
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H13Cl2N3O/c1-18(13(19)12-5-11(16)6-17-12)7-8-2-9(14)4-10(15)3-8/h2-6,17H,7,16H2,1H3
InChIKeyRYLSXBODLVOMKF-UHFFFAOYSA-N
XLogP3.18
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 61118099
4-amino-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 61114285
4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
3-amino-N-[(3,5-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60946254
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
4-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61113939
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 63206983
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide (CID 61107986) is 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is RYLSXBODLVOMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-18(13(19)12-5-11(16)6-17-12)7-8-2-9(14)4-10(15)3-8/h2-6,17H,7,16H2,1H3.
What are the key properties of 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide?
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61107986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).