N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

C16H14Cl2FNO — CID 62510958

IUPACN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c1-10-3-6-15(19)12(7-10)16(21)20(2)9-11-4-5-13(17)14(18)8-11/h3-8H,9H2,1-2H3
InChIKeyMXDIOORUQXCDEO-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.71
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide

N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (PubChem CID 62510958) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
PubChem CID62510958
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
SMILESCc1ccc(F)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c1-10-3-6-15(19)12(7-10)16(21)20(2)9-11-4-5-13(17)14(18)8-11/h3-8H,9H2,1-2H3
InChIKeyMXDIOORUQXCDEO-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
5-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60674642
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydroxy-N,1-dimethylpyrrole-3-carboxamide
CID 91262646
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 61118428

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide (CID 62510958) is N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is Cc1ccc(F)c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
The InChIKey is MXDIOORUQXCDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-10-3-6-15(19)12(7-10)16(21)20(2)9-11-4-5-13(17)14(18)8-11/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide?
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide has a molecular weight of 326.20 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide is sourced from PubChem (CID 62510958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).