N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide

C17H24ClNO — CID 106132053

IUPACN-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC2CCCC(Cl)C2)cc1
InChIInChI=1S/C17H24ClNO/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-13-4-3-5-16(18)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyGRIMDPCXASEUAV-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.34
Rot. Bonds4

About N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide

N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 106132053) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
PubChem CID106132053
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCC2CCCC(Cl)C2)cc1
InChIInChI=1S/C17H24ClNO/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-13-4-3-5-16(18)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,19,20)
InChIKeyGRIMDPCXASEUAV-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
N-[(3-chlorocyclohexyl)methyl]-5-methylfuran-3-carboxamide
CID 106132172
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-[(3-chlorocyclohexyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114147636
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-[(3-chlorocyclohexyl)methyl]-5-iodothiophene-3-carboxamide
CID 106132272
N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
CID 71090797
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
3-chloro-N-[(3-chlorocyclohexyl)methyl]-4-methylthiophene-2-carboxamide
CID 106132295

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide (CID 106132053) is N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCC2CCCC(Cl)C2)cc1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is GRIMDPCXASEUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-12(2)14-6-8-15(9-7-14)17(20)19-11-13-4-3-5-16(18)10-13/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide?
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 293.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 106132053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).