3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide

C14H17ClN2O — CID 114095261

IUPAC3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H17ClN2O/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8,16H2,(H,17,18)
InChIKeyNAOLNISEAQPATD-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.84
Rot. Bonds4

About 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide

3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide (PubChem CID 114095261) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
PubChem CID114095261
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
SMILESNc1cc(Cl)cc(C(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C14H17ClN2O/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8,16H2,(H,17,18)
InChIKeyNAOLNISEAQPATD-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 115453985
3-amino-5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357752
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
2,6-dichloro-1-N-[(1-cyclopropylcyclopropyl)methyl]benzene-1,4-diamine
CID 114095331
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
3-amino-5-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179693
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide (CID 114095261) is 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide is Nc1cc(Cl)cc(C(=O)NCC2(C3CC3)CC2)c1.
What is the InChIKey of 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The InChIKey is NAOLNISEAQPATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8,16H2,(H,17,18).
What are the key properties of 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide has a molecular weight of 264.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114095261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).