N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide

C13H14ClN3O — CID 64884680

IUPACN-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H14ClN3O/c1-17-8-10(14)6-12(17)13(18)16-11-5-3-2-4-9(11)7-15/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyGSDNTQPEHBNBFF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide

N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide (PubChem CID 64884680) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
PubChem CID64884680
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)Nc1ccccc1CN
InChIInChI=1S/C13H14ClN3O/c1-17-8-10(14)6-12(17)13(18)16-11-5-3-2-4-9(11)7-15/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyGSDNTQPEHBNBFF-UHFFFAOYSA-N
XLogP2.39
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-3-ethylbenzoic acid
CID 166349980
4-chloro-N-[2-(4-hydroxybut-1-ynyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60802662
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 60804116
N-[2-(aminomethyl)phenyl]-4-chloro-2-methoxybenzamide
CID 64882519
N-[2-(aminomethyl)phenyl]-2-chloro-5-hydroxybenzamide
CID 106502622
N-[2-(aminomethyl)phenyl]-2,4-dimethylbenzamide
CID 16772806
N-[2-(aminomethyl)phenyl]-1-ethyl-4-nitropyrrole-2-carboxamide
CID 64896420
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CID 142823786
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CID 64895840

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide (CID 64884680) is N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
The InChIKey is GSDNTQPEHBNBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-8-10(14)6-12(17)13(18)16-11-5-3-2-4-9(11)7-15/h2-6,8H,7,15H2,1H3,(H,16,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide?
N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-4-chloro-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 64884680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).