N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide

C14H19ClN2O — CID 81323198

IUPACN-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCCC2N)c1
InChIInChI=1S/C14H19ClN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5,16H2,1H3,(H,17,18)
InChIKeyNMXBTPLERDAIHR-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.65
Rot. Bonds2

About N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide

N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide (PubChem CID 81323198) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
PubChem CID81323198
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NC2CCCCC2N)c1
InChIInChI=1S/C14H19ClN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5,16H2,1H3,(H,17,18)
InChIKeyNMXBTPLERDAIHR-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(2-aminocyclohexyl)-5-methylfuran-3-carboxamide
CID 114821924
N-[2-(hydroxymethyl)cyclohexyl]-3,5-dimethylbenzamide
CID 103798546
4-[(3-chloro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 81323289
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
N-(2-aminocycloheptyl)-3,4,5-trifluorobenzamide
CID 63258010
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-hydroxy-3-methylbenzamide
CID 107672030

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide?
The IUPAC name of N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide (CID 81323198) is N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NC2CCCCC2N)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide?
The InChIKey is NMXBTPLERDAIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h6-8,12-13H,2-5,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide?
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide has a molecular weight of 266.77 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide is sourced from PubChem (CID 81323198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).