4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

C13H14ClN3O — CID 66398095

IUPAC4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2cc(C(N)=O)ccc2Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-17-5-4-9(8-17)7-16-12-6-10(13(15)18)2-3-11(12)14/h2-6,8,16H,7H2,1H3,(H2,15,18)
InChIKeyLOYMJEVGTXZKSR-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.39
Rot. Bonds4

About 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (PubChem CID 66398095) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
PubChem CID66398095
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCn1ccc(CNc2cc(C(N)=O)ccc2Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-17-5-4-9(8-17)7-16-12-6-10(13(15)18)2-3-11(12)14/h2-6,8,16H,7H2,1H3,(H2,15,18)
InChIKeyLOYMJEVGTXZKSR-UHFFFAOYSA-N
XLogP2.39
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-chloro-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43679399
4-chloro-3-[(3-chloro-4-methylphenyl)methylamino]benzamide
CID 106816294
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzenesulfonamide
CID 66400436
4-chloro-3-[(3,5-difluoro-4-hydroxyphenyl)methylamino]benzamide
CID 79881862
3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzamide
CID 105401162
N-[4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]phenyl]methanesulfonamide
CID 66397679
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
4-chloro-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 43780079
4-fluoro-3-[(1-methylpyrrol-3-yl)methylamino]benzoic acid
CID 66398973
4-chloro-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzamide
CID 115989561
N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399583

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (CID 66398095) is 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is Cn1ccc(CNc2cc(C(N)=O)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is LOYMJEVGTXZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-5-4-9(8-17)7-16-12-6-10(13(15)18)2-3-11(12)14/h2-6,8,16H,7H2,1H3,(H2,15,18).
What are the key properties of 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 66398095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).