N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide

C15H12BrClN2O2 — CID 80973483

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H12BrClN2O2/c16-12-6-3-10(8-13(12)17)15(21)19-11-4-1-9(2-5-11)7-14(18)20/h1-6,8H,7H2,(H2,18,20)(H,19,21)
InChIKeyHNWFNBDSKPVXST-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.38
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide (PubChem CID 80973483) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
PubChem CID80973483
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
SMILESNC(=O)Cc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C15H12BrClN2O2/c16-12-6-3-10(8-13(12)17)15(21)19-11-4-1-9(2-5-11)7-14(18)20/h1-6,8H,7H2,(H2,18,20)(H,19,21)
InChIKeyHNWFNBDSKPVXST-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 80966309
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
4-bromo-3-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 80961600
4-bromo-3-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 81295641
4-[(4-bromo-3-chlorobenzoyl)amino]benzenesulfonyl chloride
CID 81290021
N-[4-(2-amino-2-oxoethyl)phenyl]-4,5-dibromothiophene-2-carboxamide
CID 39280552
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(4-bromo-3-chlorophenyl)-3-chloro-4-iodobenzamide
CID 107613087
N-[4-(2-amino-2-oxoethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 31861747
4-bromo-N-(3-bromophenyl)-3-chlorobenzamide
CID 81295310
4-bromo-3-chloro-N-(4-chloro-3-cyanophenyl)benzamide
CID 81308168
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide (CID 80973483) is N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide is NC(=O)Cc1ccc(NC(=O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide?
The InChIKey is HNWFNBDSKPVXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-12-6-3-10(8-13(12)17)15(21)19-11-4-1-9(2-5-11)7-14(18)20/h1-6,8H,7H2,(H2,18,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide has a molecular weight of 367.63 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 80973483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).