N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide

C17H24ClNO2 — CID 114301436

IUPACN-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2CCCCC2Cl)c1
InChIInChI=1S/C17H24ClNO2/c1-12(2)21-15-8-5-7-13(10-15)17(20)19-11-14-6-3-4-9-16(14)18/h5,7-8,10,12,14,16H,3-4,6,9,11H2,1-2H3,(H,19,20)
InChIKeyQVNBNMAQIMXYFH-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide

N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide (PubChem CID 114301436) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
PubChem CID114301436
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NCC2CCCCC2Cl)c1
InChIInChI=1S/C17H24ClNO2/c1-12(2)21-15-8-5-7-13(10-15)17(20)19-11-14-6-3-4-9-16(14)18/h5,7-8,10,12,14,16H,3-4,6,9,11H2,1-2H3,(H,19,20)
InChIKeyQVNBNMAQIMXYFH-UHFFFAOYSA-N
XLogP4.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-bromo-N-[(2-chlorocyclohexyl)methyl]-4-methoxybenzamide
CID 114301502
N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
CID 114313814
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
CID 95973529

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide (CID 114301436) is N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NCC2CCCCC2Cl)c1.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide?
The InChIKey is QVNBNMAQIMXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-12(2)21-15-8-5-7-13(10-15)17(20)19-11-14-6-3-4-9-16(14)18/h5,7-8,10,12,14,16H,3-4,6,9,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide?
N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide has a molecular weight of 309.84 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 114301436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).