N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide

C16H15ClFNO — CID 71822306

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO/c1-2-11-3-6-13(7-4-11)16(20)19-10-12-5-8-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyOCDDNZGVEGFPCQ-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.97
Rot. Bonds4

About N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide

N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide (PubChem CID 71822306) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
PubChem CID71822306
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H15ClFNO/c1-2-11-3-6-13(7-4-11)16(20)19-10-12-5-8-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyOCDDNZGVEGFPCQ-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxybenzamide
CID 107075151
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide (CID 71822306) is N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide?
The InChIKey is OCDDNZGVEGFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-2-11-3-6-13(7-4-11)16(20)19-10-12-5-8-15(18)14(17)9-12/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 71822306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).