N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide

C15H13BrClNO — CID 107096907

IUPACN-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H13BrClNO/c1-9-6-7-11(8-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyBCKSIZFVZXYDJT-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.97
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide

N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide (PubChem CID 107096907) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
PubChem CID107096907
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C15H13BrClNO/c1-9-6-7-11(8-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyBCKSIZFVZXYDJT-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 107097234
N-(3-aminophenyl)-3-chloro-2-methylbenzamide
CID 110484087
3-chloro-N-(3-fluoro-4-hydroxyphenyl)-2-methylbenzamide
CID 107097222
2-amino-N-(3-bromo-4-methylphenyl)-6-chlorobenzamide
CID 63663448
4-[(3-chloro-2-methylbenzoyl)amino]-2-hydroxybenzoic acid
CID 107095827
2-amino-N-(4-bromo-3-methylphenyl)-3-chlorobenzamide
CID 115539970
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-2-methylbenzamide
CID 107096916
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-2-chlorobenzamide
CID 78874678
N-(3-bromo-4-methylphenyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81226921
3-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257023
N-(3-bromo-4-methylphenyl)-2-methylsulfanylbenzamide
CID 112725117
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide (CID 107096907) is N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide is Cc1ccc(NC(=O)c2cccc(Cl)c2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide?
The InChIKey is BCKSIZFVZXYDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-9-6-7-11(8-13(9)16)18-15(19)12-4-3-5-14(17)10(12)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide?
N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107096907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).