3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

C15H19ClFNO2 — CID 91768563

IUPAC3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-18(9-15(10-19)6-2-3-7-15)14(20)11-4-5-13(17)12(16)8-11/h4-5,8,19H,2-3,6-7,9-10H2,1H3
InChIKeyGMENBTXIFGIUTJ-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.10
Rot. Bonds4

About 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide

3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (PubChem CID 91768563) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
PubChem CID91768563
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
SMILESCN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H19ClFNO2/c1-18(9-15(10-19)6-2-3-7-15)14(20)11-4-5-13(17)12(16)8-11/h4-5,8,19H,2-3,6-7,9-10H2,1H3
InChIKeyGMENBTXIFGIUTJ-UHFFFAOYSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-hydroxy-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91760239
2-[(3-chloro-4-fluorobenzoyl)-methylamino]acetic acid
CID 80502955
3-chloro-4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951301
N-(3-aminopropyl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82880148
3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72915964
N-[(3-bromocyclobutyl)methyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82878533
4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 119059199
3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72928250
6-[4-[[1-(hydroxymethyl)cyclopentyl]methyl-methylcarbamoyl]phenyl]pyridine-3-carboxylic acid
CID 121495500
4-(2-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91788116
3-(3-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methylbenzamide
CID 91769756
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide (CID 91768563) is 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is CN(CC1(CO)CCCC1)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
The InChIKey is GMENBTXIFGIUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-18(9-15(10-19)6-2-3-7-15)14(20)11-4-5-13(17)12(16)8-11/h4-5,8,19H,2-3,6-7,9-10H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide?
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide has a molecular weight of 299.77 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide is sourced from PubChem (CID 91768563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).