N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide

C16H16ClFN2O — CID 60615646

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(Cl)c2N(C)C)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-7-8-13(18)11(9-10)16(21)19-14-6-4-5-12(17)15(14)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyCWYDCPZGJJKMDV-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.11
Rot. Bonds3

About N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide

N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide (PubChem CID 60615646) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
PubChem CID60615646
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2cccc(Cl)c2N(C)C)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-7-8-13(18)11(9-10)16(21)19-14-6-4-5-12(17)15(14)20(2)3/h4-9H,1-3H3,(H,19,21)
InChIKeyCWYDCPZGJJKMDV-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62509353
2-fluoro-N-(3-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 64794363
N-(4-chloro-2-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 55083427
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
2-chloro-N-(2-fluorophenyl)-5-methylbenzamide
CID 122630269
N-[3-chloro-2-(dimethylamino)phenyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 60558088
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
4-chloro-2-[(2-fluoro-5-methylbenzoyl)amino]benzoic acid
CID 62516513
N-(3-chloro-2-fluorophenyl)-2-hydrazinyl-5-methylbenzamide
CID 62512161
2-amino-3-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 115540011
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide (CID 60615646) is N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2cccc(Cl)c2N(C)C)c1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide?
The InChIKey is CWYDCPZGJJKMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-7-8-13(18)11(9-10)16(21)19-14-6-4-5-12(17)15(14)20(2)3/h4-9H,1-3H3,(H,19,21).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide?
N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 60615646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).