3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

C19H21N3O2 — CID 119715820

IUPAC3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(N)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C19H21N3O2/c1-13-6-4-9-16(17(13)19(24)22-10-2-3-11-22)21-18(23)14-7-5-8-15(20)12-14/h4-9,12H,2-3,10-11,20H2,1H3,(H,21,23)
InChIKeyUEWUBUGEANUVGS-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.07
Rot. Bonds3

About 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 119715820) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID119715820
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(NC(=O)c2cccc(N)c2)c1C(=O)N1CCCC1
InChIInChI=1S/C19H21N3O2/c1-13-6-4-9-16(17(13)19(24)22-10-2-3-11-22)21-18(23)14-7-5-8-15(20)12-14/h4-9,12H,2-3,10-11,20H2,1H3,(H,21,23)
InChIKeyUEWUBUGEANUVGS-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.07
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

4-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119715803
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
4-(methoxymethyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 47035979
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
4-(3,5-dimethylpyrazol-1-yl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715651
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 55776443
4-benzoyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1,4-diazepane-1-carboxamide
CID 112826100
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 119715820) is 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1cccc(NC(=O)c2cccc(N)c2)c1C(=O)N1CCCC1.
What is the InChIKey of 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is UEWUBUGEANUVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-6-4-9-16(17(13)19(24)22-10-2-3-11-22)21-18(23)14-7-5-8-15(20)12-14/h4-9,12H,2-3,10-11,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119715820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).