N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide

C15H13ClFNO2 — CID 26690340

IUPACN-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C15H13ClFNO2/c1-9-3-4-10(7-14(9)20-2)15(19)18-13-6-5-11(16)8-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyZVNBAEDQFPNBIU-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.05
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide

N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide (PubChem CID 26690340) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
PubChem CID26690340
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C
InChIInChI=1S/C15H13ClFNO2/c1-9-3-4-10(7-14(9)20-2)15(19)18-13-6-5-11(16)8-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyZVNBAEDQFPNBIU-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)-3-methoxy-4-methylbenzamide
CID 64795336
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
N-(2-chloro-4-hydroxyphenyl)-4-fluoro-3-methoxybenzamide
CID 81284263
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(2-fluoro-5-nitrophenyl)-3-methoxy-4-methylbenzamide
CID 134044498
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
4-chloro-N-(2-fluoro-4,5-dimethoxyphenyl)benzamide
CID 56782948
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide (CID 26690340) is N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc(Cl)cc2F)ccc1C.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide?
The InChIKey is ZVNBAEDQFPNBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-9-3-4-10(7-14(9)20-2)15(19)18-13-6-5-11(16)8-12(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide?
N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide has a molecular weight of 293.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 26690340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).