3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide

C14H15BrClNO — CID 114096121

IUPAC3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H15BrClNO/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyLYQQCLQJPCNSJI-UHFFFAOYSA-N
MW328.64 g/mol
LogP4.02
Rot. Bonds4

About 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide

3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide (PubChem CID 114096121) has the molecular formula C14H15BrClNO and a molecular weight of 328.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
PubChem CID114096121
Molecular FormulaC14H15BrClNO
Molecular Weight328.64 g/mol
Exact Mass327.00
IUPAC Name3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(C2CC2)CC1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H15BrClNO/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8H2,(H,17,18)
InChIKeyLYQQCLQJPCNSJI-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114095261
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
3-bromo-N-[[1-(bromomethyl)cyclohexyl]methyl]-5-chlorobenzamide
CID 107941344
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
CID 103839324
3-bromo-5-chloro-N-[(4-methylpiperidin-4-yl)methyl]benzamide
CID 107940194
3-bromo-5-chloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 107952216
4-[[(3-bromo-5-chlorobenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 107938272
3-bromo-5-chloro-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 107952902
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide (CID 114096121) is 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide is O=C(NCC1(C2CC2)CC1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
The InChIKey is LYQQCLQJPCNSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNO/c15-11-5-9(6-12(16)7-11)13(18)17-8-14(3-4-14)10-1-2-10/h5-7,10H,1-4,8H2,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide?
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide has a molecular weight of 328.64 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114096121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).