4-bromo-2-chloro-N-(1-cyanopropyl)benzamide

C11H10BrClN2O — CID 61119482

IUPAC4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
SMILESCCC(C#N)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2H2,1H3,(H,15,16)
InChIKeyHWHDCNWZFKXSLZ-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.13
Rot. Bonds3

About 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide

4-bromo-2-chloro-N-(1-cyanopropyl)benzamide (PubChem CID 61119482) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
PubChem CID61119482
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name4-bromo-2-chloro-N-(1-cyanopropyl)benzamide
SMILESCCC(C#N)NC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C11H10BrClN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2H2,1H3,(H,15,16)
InChIKeyHWHDCNWZFKXSLZ-UHFFFAOYSA-N
XLogP3.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
(2S)-2-[(4-bromo-2-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61172061
4-bromo-2-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 43805745
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693
4-bromo-2-chloro-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859840
2-bromo-N-(1-cyanopropyl)pyridine-3-carboxamide
CID 103755069
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
2-[(4-bromo-2-chlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 43805447
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide (CID 61119482) is 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide is CCC(C#N)NC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide?
The InChIKey is HWHDCNWZFKXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-2-8(6-14)15-11(16)9-4-3-7(12)5-10(9)13/h3-5,8H,2H2,1H3,(H,15,16).
What are the key properties of 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide?
4-bromo-2-chloro-N-(1-cyanopropyl)benzamide has a molecular weight of 301.57 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(1-cyanopropyl)benzamide is sourced from PubChem (CID 61119482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).