4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide

C14H19N3O — CID 114152757

IUPAC4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCCC2=CCCC2)c1
InChIInChI=1S/C14H19N3O/c15-12-6-5-11(14(16)18)9-13(12)17-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8,15H2,(H2,16,18)
InChIKeyJLBKVDJWBDDLTI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide

4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide (PubChem CID 114152757) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
PubChem CID114152757
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc(N)c(NCCC2=CCCC2)c1
InChIInChI=1S/C14H19N3O/c15-12-6-5-11(14(16)18)9-13(12)17-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8,15H2,(H2,16,18)
InChIKeyJLBKVDJWBDDLTI-UHFFFAOYSA-N
XLogP2.28
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylamino]-3-fluorobenzamide
CID 126811874
4,5-dichloro-2-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,2-diamine
CID 106166084
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
ethyl 3-amino-4-[2-(cyclohexen-1-yl)ethylamino]benzoate
CID 100620771
3-(2-acetamidoethylamino)-4-aminobenzamide
CID 63356051
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
1-N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106166262
4-amino-3-(2-prop-2-enoxyethylamino)benzamide
CID 114264610
3-[2-(cyclopenten-1-yl)ethylamino]benzoic acid
CID 106178566
3-bromo-4-[2-(cyclohexen-1-yl)ethylamino]benzoic acid
CID 114009477
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
1-N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 107845952

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide (CID 114152757) is 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide is NC(=O)c1ccc(N)c(NCCC2=CCCC2)c1.
What is the InChIKey of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide?
The InChIKey is JLBKVDJWBDDLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12-6-5-11(14(16)18)9-13(12)17-8-7-10-3-1-2-4-10/h3,5-6,9,17H,1-2,4,7-8,15H2,(H2,16,18).
What are the key properties of 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide?
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide has a molecular weight of 245.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide is sourced from PubChem (CID 114152757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).