2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

C16H15ClFNO2 — CID 109399591

IUPAC2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(F)c(CO)c2)c1Cl
InChIInChI=1S/C16H15ClFNO2/c1-10-3-2-4-13(15(10)17)16(21)19-8-11-5-6-14(18)12(7-11)9-20/h2-7,20H,8-9H2,1H3,(H,19,21)
InChIKeyQIQPKRMEMOQFFW-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide

2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 109399591) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
PubChem CID109399591
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Name2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(F)c(CO)c2)c1Cl
InChIInChI=1S/C16H15ClFNO2/c1-10-3-2-4-13(15(10)17)16(21)19-8-11-5-6-14(18)12(7-11)9-20/h2-7,20H,8-9H2,1H3,(H,19,21)
InChIKeyQIQPKRMEMOQFFW-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75387770
3-amino-2-chloro-N-[(4-fluoro-3,5-dimethylphenyl)methyl]benzamide
CID 115930610
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide (CID 109399591) is 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(F)c(CO)c2)c1Cl.
What is the InChIKey of 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is QIQPKRMEMOQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10-3-2-4-13(15(10)17)16(21)19-8-11-5-6-14(18)12(7-11)9-20/h2-7,20H,8-9H2,1H3,(H,19,21).
What are the key properties of 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide?
2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 307.75 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 109399591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).