N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide

C16H23ClN2O — CID 59122121

IUPACN-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide
SMILESN[C@@H](CNC(=O)c1ccc(Cl)cc1)CC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-15(18)10-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,18H2,(H,19,20)/t15-/m1/s1
InChIKeyKEJZKWATVGOFCM-OAHLLOKOSA-N
MW294.83 g/mol
LogP3.37
Rot. Bonds5

About N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide

N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide (PubChem CID 59122121) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide
PubChem CID59122121
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide
SMILESN[C@@H](CNC(=O)c1ccc(Cl)cc1)CC1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-15(18)10-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,18H2,(H,19,20)/t15-/m1/s1
InChIKeyKEJZKWATVGOFCM-OAHLLOKOSA-N
XLogP3.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
2-bromo-1-(4-chlorophenyl)-3-cyclopentylpropan-1-one
CID 91437735
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-(2-amino-2-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 63767271
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide?
The IUPAC name of N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide (CID 59122121) is N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide.
What is the SMILES notation for N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide?
The canonical SMILES for N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide is N[C@@H](CNC(=O)c1ccc(Cl)cc1)CC1CCCCC1.
What is the InChIKey of N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide?
The InChIKey is KEJZKWATVGOFCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-14-8-6-13(7-9-14)16(20)19-11-15(18)10-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11,18H2,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide?
N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide has a molecular weight of 294.83 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-3-cyclohexylpropyl]-4-chlorobenzamide is sourced from PubChem (CID 59122121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).