N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide

C18H19BrClNO — CID 2954043

IUPACN-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H19BrClNO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)15-11-14(19)9-10-16(15)20/h4-11H,12H2,1-3H3
InChIKeyVIFSJOCRSSBNNI-UHFFFAOYSA-N
MW380.71 g/mol
LogP5.54
Rot. Bonds3

About N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide

N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide (PubChem CID 2954043) has the molecular formula C18H19BrClNO and a molecular weight of 380.71 g/mol. Its IUPAC name is N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
PubChem CID2954043
Molecular FormulaC18H19BrClNO
Molecular Weight380.71 g/mol
Exact Mass379.03
IUPAC NameN-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H19BrClNO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)15-11-14(19)9-10-16(15)20/h4-11H,12H2,1-3H3
InChIKeyVIFSJOCRSSBNNI-UHFFFAOYSA-N
XLogP5.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.71
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-bromo-N-tert-butylbenzamide
CID 4539378
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N-benzyl-N-tert-butylnaphthalene-1-carboxamide
CID 10914114
[4-[benzyl(tert-butyl)carbamoyl]-2-chlorophenyl]boronic acid
CID 99738087
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N-benzyl-N-tert-butyl-4-oxochromene-3-carboxamide
CID 42778105
N-benzyl-5-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 65309508
N-benzyl-N-tert-butyl-2-chloropropanamide
CID 131021272
3-bromo-N-tert-butyl-N-[(3-phenylmethoxyphenyl)methyl]benzamide
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N-benzyl-2,5-dibromo-N-(2-chloroethyl)benzamide
CID 114375585

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide?
The IUPAC name of N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide (CID 2954043) is N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide.
What is the SMILES notation for N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide?
The canonical SMILES for N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide?
The InChIKey is VIFSJOCRSSBNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClNO/c1-18(2,3)21(12-13-7-5-4-6-8-13)17(22)15-11-14(19)9-10-16(15)20/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide?
N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide has a molecular weight of 380.71 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-N-tert-butyl-2-chlorobenzamide is sourced from PubChem (CID 2954043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).