N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate

C14H13Cl2NO2 — CID 51058525

IUPACN-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
SMILESCc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1.O
InChIInChI=1S/C14H11Cl2NO.H2O/c1-9-4-2-5-10(8-9)14(18)17-13-11(15)6-3-7-12(13)16;/h2-8H,1H3,(H,17,18);1H2
InChIKeyNKOLFPNHFCFPLB-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.73
Rot. Bonds2

About N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate

N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate (PubChem CID 51058525) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
PubChem CID51058525
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC NameN-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
SMILESCc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1.O
InChIInChI=1S/C14H11Cl2NO.H2O/c1-9-4-2-5-10(8-9)14(18)17-13-11(15)6-3-7-12(13)16;/h2-8H,1H3,(H,17,18);1H2
InChIKeyNKOLFPNHFCFPLB-UHFFFAOYSA-N
XLogP3.73
TPSA60.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652
1-N,3-N-bis(2-chloro-5-methylphenyl)benzene-1,3-dicarboxamide
CID 4179240
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
3-N-cyclopropyl-1-N-(2,6-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109050846

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate?
The IUPAC name of N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate (CID 51058525) is N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate is Cc1cccc(C(=O)Nc2c(Cl)cccc2Cl)c1.O.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate?
The InChIKey is NKOLFPNHFCFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO.H2O/c1-9-4-2-5-10(8-9)14(18)17-13-11(15)6-3-7-12(13)16;/h2-8H,1H3,(H,17,18);1H2.
What are the key properties of N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate?
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate has a molecular weight of 298.17 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate is sourced from PubChem (CID 51058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).