N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide

C20H23N3O2 — CID 119725877

IUPACN-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C20H23N3O2/c1-14-9-10-17(22-20(25)15-6-3-2-4-7-15)12-18(14)23-19(24)13-16-8-5-11-21-16/h2-4,6-7,9-10,12,16,21H,5,8,11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyBLXFDZJEGOYLJR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds5

About N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide

N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide (PubChem CID 119725877) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
PubChem CID119725877
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC1CCCN1
InChIInChI=1S/C20H23N3O2/c1-14-9-10-17(22-20(25)15-6-3-2-4-7-15)12-18(14)23-19(24)13-16-8-5-11-21-16/h2-4,6-7,9-10,12,16,21H,5,8,11,13H2,1H3,(H,22,25)(H,23,24)
InChIKeyBLXFDZJEGOYLJR-UHFFFAOYSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067
N-(3-acetamido-4-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61364257
N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119693731
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide (CID 119725877) is N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)CC1CCCN1.
What is the InChIKey of N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide?
The InChIKey is BLXFDZJEGOYLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-9-10-17(22-20(25)15-6-3-2-4-7-15)12-18(14)23-19(24)13-16-8-5-11-21-16/h2-4,6-7,9-10,12,16,21H,5,8,11,13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide?
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 119725877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).