4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide

C14H10Br2ClNO — CID 61401019

IUPAC4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10Br2ClNO/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyVZOLPNGOXYEHSX-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.80
Rot. Bonds3

About 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide

4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide (PubChem CID 61401019) has the molecular formula C14H10Br2ClNO and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
PubChem CID61401019
Molecular FormulaC14H10Br2ClNO
Molecular Weight403.50 g/mol
Exact Mass400.88
IUPAC Name4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide
SMILESO=C(NCc1ccc(Br)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H10Br2ClNO/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8H2,(H,18,19)
InChIKeyVZOLPNGOXYEHSX-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[(4-bromophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 107015007
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide (CID 61401019) is 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide is O=C(NCc1ccc(Br)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide?
The InChIKey is VZOLPNGOXYEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClNO/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8H2,(H,18,19).
What are the key properties of 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide?
4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide has a molecular weight of 403.50 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromophenyl)methyl]-2-chlorobenzamide is sourced from PubChem (CID 61401019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).