N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide

C14H12ClNO — CID 175815954

IUPACN-(4-chlorophenyl)-3-deuterio-2-methylbenzamide
SMILES[2H]c1cccc(C(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H12ClNO/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17)/i4D
InChIKeyGTAAHWPBBMVBRJ-QYKNYGDISA-N
MW246.72 g/mol
LogP3.90
Rot. Bonds2

About N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide

N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide (PubChem CID 175815954) has the molecular formula C14H12ClNO and a molecular weight of 246.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-deuterio-2-methylbenzamide
PubChem CID175815954
Molecular FormulaC14H12ClNO
Molecular Weight246.72 g/mol
Exact Mass246.07
IUPAC NameN-(4-chlorophenyl)-3-deuterio-2-methylbenzamide
SMILES[2H]c1cccc(C(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C14H12ClNO/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17)/i4D
InChIKeyGTAAHWPBBMVBRJ-QYKNYGDISA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(4-chlorophenyl)benzamide;4-chloro-N-(4-chlorophenyl)benzamide
CID 159735192
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22775717
N-[4-[[(2-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 1145926
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
N-[4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]phenyl]-2-methylbenzamide
CID 17251768
N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
2-chloro-N-[4-[(4-chlorobenzoyl)amino]-2-methylphenyl]benzamide
CID 3135769
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
2-(aminomethyl)-N-(4-chlorophenyl)benzamide
CID 82546810
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
4-[(2-methylbenzoyl)amino]benzoic acid
CID 11615814
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide (CID 175815954) is N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide is [2H]c1cccc(C(=O)Nc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide?
The InChIKey is GTAAHWPBBMVBRJ-QYKNYGDISA-N. The full InChI is InChI=1S/C14H12ClNO/c1-10-4-2-3-5-13(10)14(17)16-12-8-6-11(15)7-9-12/h2-9H,1H3,(H,16,17)/i4D.
What are the key properties of N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide?
N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide has a molecular weight of 246.72 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-deuterio-2-methylbenzamide is sourced from PubChem (CID 175815954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).