5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

C14H17ClFNO2 — CID 114146514

IUPAC5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c15-10-3-6-13(16)12(7-10)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)
InChIKeyMQVYUZIRMUVJKZ-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.76
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide

5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (PubChem CID 114146514) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
PubChem CID114146514
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCC(O)CC1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H17ClFNO2/c15-10-3-6-13(16)12(7-10)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)
InChIKeyMQVYUZIRMUVJKZ-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-2-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66004553
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
5-chloro-2-hydroxy-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66005764
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996
4-fluoro-N-[(4-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 114146256
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide (CID 114146514) is 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCC(O)CC1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is MQVYUZIRMUVJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c15-10-3-6-13(16)12(7-10)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 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide?
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 285.75 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 114146514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).