2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide

C14H19ClN2O — CID 28690168

IUPAC2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESC[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyMSAIGRQXWCBKIC-ONGXEEELSA-N
MW266.77 g/mol
LogP3.23
Rot. Bonds2

About 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide

2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide (PubChem CID 28690168) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
PubChem CID28690168
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESC[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18)/t9-,11-/m0/s1
InChIKeyMSAIGRQXWCBKIC-ONGXEEELSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
CID 62398884
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28689875
4-chloro-N-(3-methylcyclohexyl)pyridine-2-carboxamide
CID 43244106
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
2-amino-4-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388670
2-fluoro-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41097250
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide (CID 28690168) is 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide is C[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2N)C1.
What is the InChIKey of 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The InChIKey is MSAIGRQXWCBKIC-ONGXEEELSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(15)8-13(12)16/h5-6,8-9,11H,2-4,7,16H2,1H3,(H,17,18)/t9-,11-/m0/s1.
What are the key properties of 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 28690168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).