3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide

C15H19BrClNO — CID 114100333

IUPAC3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
SMILESCC1CCCC(NC(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C15H19BrClNO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyNPNJNDQTJZJRRJ-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.80
Rot. Bonds2

About 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide

3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide (PubChem CID 114100333) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
PubChem CID114100333
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
SMILESCC1CCCC(NC(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C15H19BrClNO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19)
InChIKeyNPNJNDQTJZJRRJ-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531
5-bromo-2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102795231
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
CID 110021575
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
(3-bromo-2-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 103989224
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide (CID 114100333) is 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide is CC1CCCC(NC(=O)c2cccc(Br)c2Cl)CC1.
What is the InChIKey of 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide?
The InChIKey is NPNJNDQTJZJRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-10-4-2-5-11(9-8-10)18-15(19)12-6-3-7-13(16)14(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide?
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide has a molecular weight of 344.68 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide is sourced from PubChem (CID 114100333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).