3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H17Cl2NO2 — CID 106122138

IUPAC3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c15-12-6-3-10(7-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyZGVQGKPGVJEYHK-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.27
Rot. Bonds3

About 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide

3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 106122138) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID106122138
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO2/c15-12-6-3-10(7-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19)
InChIKeyZGVQGKPGVJEYHK-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
3,4-dichloro-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180754
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
3,4-dichloro-N-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111870132
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
N-[(4-hydroxycyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 106121573

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 106122138) is 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(O)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is ZGVQGKPGVJEYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-6-3-10(7-13(12)16)14(19)17-8-9-1-4-11(18)5-2-9/h3,6-7,9,11,18H,1-2,4-5,8H2,(H,17,19).
What are the key properties of 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 302.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 106122138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).