N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide

C14H21ClN2O — CID 113265964

IUPACN-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-12(9-16)17-14(18)11-6-7-13(15)10(2)8-11/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyLBMMNLPRCCKAAK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.90
Rot. Bonds6

About N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide

N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide (PubChem CID 113265964) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
PubChem CID113265964
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
SMILESCCCCC(CN)NC(=O)c1ccc(Cl)c(C)c1
InChIInChI=1S/C14H21ClN2O/c1-3-4-5-12(9-16)17-14(18)11-6-7-13(15)10(2)8-11/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,18)
InChIKeyLBMMNLPRCCKAAK-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide 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

N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(1-aminohexan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119664956
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
N-(1-aminohexan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119668140
N-(1-aminohexan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119668248

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide?
The IUPAC name of N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide (CID 113265964) is N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide is CCCCC(CN)NC(=O)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide?
The InChIKey is LBMMNLPRCCKAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-4-5-12(9-16)17-14(18)11-6-7-13(15)10(2)8-11/h6-8,12H,3-5,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide?
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide has a molecular weight of 268.79 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide is sourced from PubChem (CID 113265964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).