4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide

C19H21BrN2O2 — CID 4278402

IUPAC4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-13(2)22-19(24)16-6-4-14(5-7-16)12-21-18(23)15-8-10-17(20)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDKFLFIZUFUNWAO-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.91
Rot. Bonds6

About 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide

4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide (PubChem CID 4278402) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
PubChem CID4278402
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-3-13(2)22-19(24)16-6-4-14(5-7-16)12-21-18(23)15-8-10-17(20)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDKFLFIZUFUNWAO-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-methylfuran-2-carboxamide
CID 94197302
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]furan-2-carboxamide
CID 94197370
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 94183070
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-chloropyrimidine-4-carboxamide
CID 97221494
N-butan-2-yl-4-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]benzamide
CID 111225317
N-butan-2-yl-4-[(cyclobutanecarbonylamino)methyl]benzamide
CID 51082846
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94197268

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide (CID 4278402) is 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide?
The InChIKey is DKFLFIZUFUNWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-13(2)22-19(24)16-6-4-14(5-7-16)12-21-18(23)15-8-10-17(20)11-9-15/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide?
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide has a molecular weight of 389.29 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 4278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).