N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide

C19H21N3O2 — CID 119756453

IUPACN-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESO=C(CC1CCCN1)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c23-18(13-17-7-4-12-20-17)21-16-10-8-14(9-11-16)19(24)22-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24)
InChIKeyJGAPGYOVNYQCFI-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.02
Rot. Bonds5

About N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide

N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (PubChem CID 119756453) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
PubChem CID119756453
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
SMILESO=C(CC1CCCN1)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c23-18(13-17-7-4-12-20-17)21-16-10-8-14(9-11-16)19(24)22-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24)
InChIKeyJGAPGYOVNYQCFI-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119718420
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
CID 119692977
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
5-[(2-pyrrolidin-2-ylacetyl)amino]benzene-1,3-dicarboxylic acid
CID 61363711
N,N-bis(prop-2-enyl)-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119739199
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The IUPAC name of N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide (CID 119756453) is N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide.
What is the SMILES notation for N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The canonical SMILES for N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is O=C(CC1CCCN1)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
The InChIKey is JGAPGYOVNYQCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(13-17-7-4-12-20-17)21-16-10-8-14(9-11-16)19(24)22-15-5-2-1-3-6-15/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24).
What are the key properties of N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide?
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide is sourced from PubChem (CID 119756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).