4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C13H14ClN3O — CID 110473992

IUPAC4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeySBRVSPKAIWSRTC-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.19
Rot. Bonds3

About 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide

4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 110473992) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID110473992
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCn1cccc1CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H14ClN3O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3,(H,16,18)
InChIKeySBRVSPKAIWSRTC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713400
4-amino-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282058
4-amino-2-chloro-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951477
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
4-amino-2-chloro-N-(2,2-dimethylpropyl)benzamide;hydrochloride
CID 119709087

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 110473992) is 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cn1cccc1CNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is SBRVSPKAIWSRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-6-2-3-10(17)8-16-13(18)11-5-4-9(15)7-12(11)14/h2-7H,8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 110473992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).