N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide

C18H20ClNO2 — CID 10591608

IUPACN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-20(18(22)15-5-3-2-4-6-15)13-16(11-12-21)14-7-9-17(19)10-8-14/h2-10,16,21H,11-13H2,1H3
InChIKeyCZANVPPZTSHVLC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide

N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide (PubChem CID 10591608) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide
PubChem CID10591608
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide
SMILESCN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1ccccc1
InChIInChI=1S/C18H20ClNO2/c1-20(18(22)15-5-3-2-4-6-15)13-16(11-12-21)14-7-9-17(19)10-8-14/h2-10,16,21H,11-13H2,1H3
InChIKeyCZANVPPZTSHVLC-UHFFFAOYSA-N
XLogP3.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-ethyl-1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 9914111
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405732
N-{2-(3,4-Dichloro-phenyl)-4-[4-(2-hydroxy-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405743
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-propyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405758
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 22405764
trans-N-(4-chlorophenethyl)-N-(4-hydroxycyclohexyl)-1-naphthamide
CID 25110775
[1-(4-Chlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 2740738
Clocanfamide
CID 29347
N-Benzyl-4-chloro-N-methylbenzamide
CID 306478
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-1-propyl-butyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
CID 10392319

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide (CID 10591608) is N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide is CN(CC(CCO)c1ccc(Cl)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide?
The InChIKey is CZANVPPZTSHVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-20(18(22)15-5-3-2-4-6-15)13-16(11-12-21)14-7-9-17(19)10-8-14/h2-10,16,21H,11-13H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide?
N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide has a molecular weight of 317.82 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4-hydroxybutyl]-N-methylbenzamide is sourced from PubChem (CID 10591608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).