2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide

C14H17Cl2NO2 — CID 106503132

IUPAC2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-9-14(6-2-1-3-7-14)17-13(19)11-8-10(18)4-5-12(11)16/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyAHHVRRUFBJADFW-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.72
Rot. Bonds3

About 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide

2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide (PubChem CID 106503132) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
PubChem CID106503132
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
SMILESO=C(NC1(CCl)CCCCC1)c1cc(O)ccc1Cl
InChIInChI=1S/C14H17Cl2NO2/c15-9-14(6-2-1-3-7-14)17-13(19)11-8-10(18)4-5-12(11)16/h4-5,8,18H,1-3,6-7,9H2,(H,17,19)
InChIKeyAHHVRRUFBJADFW-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopentyl]acetic acid
CID 106500317
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
CID 106503135
N-[1-(chloromethyl)cyclohexyl]-2-hydroxy-4-methoxybenzamide
CID 114303332
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
5-chloro-N-[1-(chloromethyl)cyclopentyl]-2-methylbenzamide
CID 82891196
4-bromo-N-[1-(chloromethyl)cyclopentyl]-2-hydroxybenzamide
CID 113272413
N-[4-(chloromethyl)oxan-4-yl]-2,4-dihydroxybenzamide
CID 106300280
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
1-[(2-chloro-5-hydroxybenzoyl)amino]cyclopropane-1-carboxylic acid
CID 106500330
N-[1-(bromomethyl)cyclopentyl]-2,5-dichlorobenzamide
CID 114311325
N-[1-(chloromethyl)cyclohexyl]-2,5-dimethoxybenzamide
CID 114303372
N-[1-(aminomethyl)cyclohexyl]-2,4-dihydroxybenzamide
CID 107726341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide?
The IUPAC name of 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide (CID 106503132) is 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide?
The canonical SMILES for 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide is O=C(NC1(CCl)CCCCC1)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide?
The InChIKey is AHHVRRUFBJADFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-9-14(6-2-1-3-7-14)17-13(19)11-8-10(18)4-5-12(11)16/h4-5,8,18H,1-3,6-7,9H2,(H,17,19).
What are the key properties of 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide?
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide has a molecular weight of 302.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide is sourced from PubChem (CID 106503132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).