4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide

C12H16ClN3O — CID 62975050

IUPAC4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)ccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyMEDWWLRLKIFSIV-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.55
Rot. Bonds3

About 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide

4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide (PubChem CID 62975050) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
PubChem CID62975050
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
SMILESCN1CCC(Nc2cc(C(N)=O)ccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17)
InChIKeyMEDWWLRLKIFSIV-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007
4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588
4-chloro-3-(oxolan-3-ylamino)benzamide
CID 63332059
N-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 62975578
3-methyl-4-[(1-methylpyrrolidin-3-yl)amino]benzoic acid
CID 62711351
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
3-fluoro-4-[(1-methylpyrrolidin-3-yl)amino]benzenecarbothioamide
CID 54949542
3-chloro-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 115300934
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-4-chlorobenzamide
CID 79322473
2-chloro-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-4-carboxylic acid
CID 54949787
ethyl 3-bromo-4-[(1-methylpyrrolidin-3-yl)amino]benzoate
CID 62976697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The IUPAC name of 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide (CID 62975050) is 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide.
What is the SMILES notation for 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The canonical SMILES for 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide is CN1CCC(Nc2cc(C(N)=O)ccc2Cl)C1.
What is the InChIKey of 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
The InChIKey is MEDWWLRLKIFSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16-5-4-9(7-16)15-11-6-8(12(14)17)2-3-10(11)13/h2-3,6,9,15H,4-5,7H2,1H3,(H2,14,17).
What are the key properties of 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide?
4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide has a molecular weight of 253.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide is sourced from PubChem (CID 62975050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).