N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide

C15H14BrClN2O — CID 81264226

IUPACN-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(17)8-14(15)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWVYPRFOBHPFUCS-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.67
Rot. Bonds4

About N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide

N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide (PubChem CID 81264226) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
PubChem CID81264226
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H14BrClN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(17)8-14(15)16/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyWVYPRFOBHPFUCS-UHFFFAOYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245
N-[4-[(4-bromo-3-fluoroanilino)methyl]phenyl]acetamide
CID 65435679
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525
3-[(2-bromo-4-chloroanilino)methyl]benzamide
CID 80979619
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
N-[4-[(4-fluoro-2-iodoanilino)methyl]phenyl]acetamide
CID 79768829
2-bromo-4-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 81251895
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[4-[(4-cyano-2-fluoroanilino)methyl]phenyl]acetamide
CID 78916095

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide (CID 81264226) is N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide?
The InChIKey is WVYPRFOBHPFUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10(20)19-13-5-2-11(3-6-13)9-18-15-7-4-12(17)8-14(15)16/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide?
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide has a molecular weight of 353.65 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 81264226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).