N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide

C15H13BrClNO — CID 107096897

IUPACN-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c1-10-13(3-2-4-14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNXALWYRKVPCWTL-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.34
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide

N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide (PubChem CID 107096897) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
PubChem CID107096897
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC NameN-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO/c1-10-13(3-2-4-14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyNXALWYRKVPCWTL-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
3-chloro-N-[(4-cyanophenyl)methyl]-2-methylbenzamide
CID 107096765
N-[[3-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107100164
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
CID 61401019
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
N-[(4-bromophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 78950948
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
3-chloro-N-(3-iodopropyl)-2-methylbenzamide
CID 107100281
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide (CID 107096897) is N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide?
The InChIKey is NXALWYRKVPCWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-10-13(3-2-4-14(10)17)15(19)18-9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide?
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide has a molecular weight of 338.63 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107096897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).