2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C14H17BrClNO — CID 114027695

IUPAC2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cc(Cl)ccc2Br)C1(C)C
InChIInChI=1S/C14H17BrClNO/c1-13(2)12(14(13,3)4)17-11(18)9-7-8(16)5-6-10(9)15/h5-7,12H,1-4H3,(H,17,18)
InChIKeyWCMGJSZGMOCWHD-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.27
Rot. Bonds2

About 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 114027695) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID114027695
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC Name2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2cc(Cl)ccc2Br)C1(C)C
InChIInChI=1S/C14H17BrClNO/c1-13(2)12(14(13,3)4)17-11(18)9-7-8(16)5-6-10(9)15/h5-7,12H,1-4H3,(H,17,18)
InChIKeyWCMGJSZGMOCWHD-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103887689
2-bromo-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 86901481
2-[(2-bromo-5-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103925625
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
5-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]benzoic acid
CID 79359991
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-bromo-5-methylbenzamide
CID 81111796
2-bromo-N-[2-(bromomethyl)cyclopentyl]-5-chlorobenzamide
CID 106366480
1-[(2-bromo-5-chlorobenzoyl)amino]-3-methylthiourea
CID 165411080
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
CID 103750071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 114027695) is 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2cc(Cl)ccc2Br)C1(C)C.
What is the InChIKey of 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is WCMGJSZGMOCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-13(2)12(14(13,3)4)17-11(18)9-7-8(16)5-6-10(9)15/h5-7,12H,1-4H3,(H,17,18).
What are the key properties of 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 330.65 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 114027695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).