N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide

C18H20ClNO — CID 110441462

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-13-6-4-7-14(10-13)17(21)20-12-18(2,3)15-8-5-9-16(19)11-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyVQHZTPJKSCBYEL-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.36
Rot. Bonds4

About N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide

N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide (PubChem CID 110441462) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
PubChem CID110441462
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClNO/c1-13-6-4-7-14(10-13)17(21)20-12-18(2,3)15-8-5-9-16(19)11-15/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyVQHZTPJKSCBYEL-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
potassium 2-(hydroxymethyl)-5-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]benzoate
CID 167977502
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
N-(5-chloro-2,2-dimethylpentyl)-3-methylbenzamide
CID 114149573
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
N-[2-(4-bromophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291619
2-[4-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 138057931
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide (CID 110441462) is N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(C)c2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide?
The InChIKey is VQHZTPJKSCBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-13-6-4-7-14(10-13)17(21)20-12-18(2,3)15-8-5-9-16(19)11-15/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide has a molecular weight of 301.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide is sourced from PubChem (CID 110441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).