N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide

C15H11BrClNO2 — CID 15446588

IUPACN-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide
SMILESO=CN(CC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrClNO2/c16-12-6-4-11(5-7-12)15(20)9-18(10-19)14-3-1-2-13(17)8-14/h1-8,10H,9H2
InChIKeyHRDPRGDNZKCZDO-UHFFFAOYSA-N
MW352.62 g/mol
LogP3.95
Rot. Bonds5

About N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide

N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide (PubChem CID 15446588) has the molecular formula C15H11BrClNO2 and a molecular weight of 352.62 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide
PubChem CID15446588
Molecular FormulaC15H11BrClNO2
Molecular Weight352.62 g/mol
Exact Mass350.97
IUPAC NameN-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide
SMILESO=CN(CC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrClNO2/c16-12-6-4-11(5-7-12)15(20)9-18(10-19)14-3-1-2-13(17)8-14/h1-8,10H,9H2
InChIKeyHRDPRGDNZKCZDO-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
2-(N-butylanilino)-1-(3-chlorophenyl)ethanone
CID 64585605
3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
CID 102190330
3-(4-bromophenyl)-2-(3-chlorophenyl)-3-oxopropanenitrile
CID 43333981
3-(3-chloro-N-phenacylanilino)azetidin-2-one
CID 70631840
2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
CID 62922079
1-(4-bromophenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926841
1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide?
The IUPAC name of N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide (CID 15446588) is N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide.
What is the SMILES notation for N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide?
The canonical SMILES for N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide is O=CN(CC(=O)c1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide?
The InChIKey is HRDPRGDNZKCZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO2/c16-12-6-4-11(5-7-12)15(20)9-18(10-19)14-3-1-2-13(17)8-14/h1-8,10H,9H2.
What are the key properties of N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide?
N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide has a molecular weight of 352.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-2-oxoethyl]-N-(3-chlorophenyl)formamide is sourced from PubChem (CID 15446588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).