2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H21N3O2 — CID 54795746

IUPAC2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21N3O2/c20-15-9-7-14(8-10-15)13-18(23)21-17-6-2-1-5-16(17)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-13,20H2,(H,21,23)
InChIKeyBGAKALVDAQKLKA-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 54795746) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID54795746
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESNc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H21N3O2/c20-15-9-7-14(8-10-15)13-18(23)21-17-6-2-1-5-16(17)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-13,20H2,(H,21,23)
InChIKeyBGAKALVDAQKLKA-UHFFFAOYSA-N
XLogP2.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
2-(4-acetamidophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 78806404
N-[2-(piperidine-1-carbonyl)phenyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55738403
2-[4-(difluoromethoxy)phenyl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35276883
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313
2-(4-aminophenyl)-N-[2-(azepan-1-yl)phenyl]acetamide
CID 119842058
3-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 54795309
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 54795746) is 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is Nc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is BGAKALVDAQKLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-15-9-7-14(8-10-15)13-18(23)21-17-6-2-1-5-16(17)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-13,20H2,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54795746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).