5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide

C15H21BrClNO — CID 60631422

IUPAC5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H21BrClNO/c1-10(2)5-4-6-11(3)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyKHIAYQWGEIWSDO-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.05
Rot. Bonds6

About 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide

5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide (PubChem CID 60631422) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
PubChem CID60631422
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H21BrClNO/c1-10(2)5-4-6-11(3)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,4-6H2,1-3H3,(H,18,19)
InChIKeyKHIAYQWGEIWSDO-UHFFFAOYSA-N
XLogP5.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-hydroxy-N-(6-methylheptan-2-yl)benzamide
CID 103600383
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5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
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5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
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5-bromo-2-chloro-N-(4-ethylsulfanylbutan-2-yl)benzamide
CID 115662149
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
5-bromo-N-but-3-yn-2-yl-2-chlorobenzamide
CID 114389823
2-amino-4-bromo-N-(5-methylhexan-2-yl)benzamide
CID 79714925
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CID 8733019

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide (CID 60631422) is 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is KHIAYQWGEIWSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-10(2)5-4-6-11(3)18-15(19)13-9-12(16)7-8-14(13)17/h7-11H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide?
5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 346.70 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 60631422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).