2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide

C17H16BrClN2O2 — CID 112992648

IUPAC2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Br)cc1)NCc1ccccc1Cl
InChIInChI=1S/C17H16BrClN2O2/c18-14-7-5-12(6-8-14)9-16(22)21-11-17(23)20-10-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyMNRXCCBHNPPVRQ-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide

2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 112992648) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
PubChem CID112992648
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC Name2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Br)cc1)NCc1ccccc1Cl
InChIInChI=1S/C17H16BrClN2O2/c18-14-7-5-12(6-8-14)9-16(22)21-11-17(23)20-10-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22)
InChIKeyMNRXCCBHNPPVRQ-UHFFFAOYSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110648111
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
N-[(2-chlorophenyl)methyl]-2-(4-ethylanilino)acetamide
CID 108998040
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112992693
2,2-dichloro-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1-methylcyclopropane-1-carboxamide
CID 14774534
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
2-(4-chloroanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 26417208

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide (CID 112992648) is 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)Cc1ccc(Br)cc1)NCc1ccccc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is MNRXCCBHNPPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c18-14-7-5-12(6-8-14)9-16(22)21-11-17(23)20-10-13-3-1-2-4-15(13)19/h1-8H,9-11H2,(H,20,23)(H,21,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide?
2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 395.68 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 112992648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).