2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

C18H19BrN2O2 — CID 18272438

IUPAC2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-12(2)13-6-5-7-14(10-13)21-17(22)11-20-18(23)15-8-3-4-9-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBCMAMLBRKHKKKO-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.94
Rot. Bonds5

About 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide

2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (PubChem CID 18272438) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
PubChem CID18272438
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
SMILESCC(C)c1cccc(NC(=O)CNC(=O)c2ccccc2Br)c1
InChIInChI=1S/C18H19BrN2O2/c1-12(2)13-6-5-7-14(10-13)21-17(22)11-20-18(23)15-8-3-4-9-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBCMAMLBRKHKKKO-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 26578993
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[1-(3-acetamidophenyl)ethyl]-2-bromobenzamide
CID 46598923
3,4,5-trimethoxy-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 26776799
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
3-[[2-[(2-bromobenzoyl)amino]acetyl]amino]butanoic acid
CID 43360744
methyl 2-[[2-[(2-bromobenzoyl)amino]acetyl]amino]benzoate
CID 112999796
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
2-bromo-N-(3-methylphenyl)benzamide
CID 532187
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide (CID 18272438) is 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is CC(C)c1cccc(NC(=O)CNC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is BCMAMLBRKHKKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12(2)13-6-5-7-14(10-13)21-17(22)11-20-18(23)15-8-3-4-9-16(15)19/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide?
2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 375.27 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 18272438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).