4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide

C14H19BrClNO — CID 107205681

IUPAC4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCCCCl)ccc1Br
InChIInChI=1S/C14H19BrClNO/c1-11-10-12(6-7-13(11)15)14(18)17(2)9-5-3-4-8-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyMQICQBQVDFTBDK-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.24
Rot. Bonds6

About 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide

4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide (PubChem CID 107205681) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
PubChem CID107205681
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)CCCCCCl)ccc1Br
InChIInChI=1S/C14H19BrClNO/c1-11-10-12(6-7-13(11)15)14(18)17(2)9-5-3-4-8-16/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyMQICQBQVDFTBDK-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 113339013
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
ethyl 3-[(4-bromo-3-methylbenzoyl)-methylamino]propanoate
CID 112705954
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398
4-bromo-N-(cyclopropylmethyl)-N,3-dimethylbenzamide
CID 115770194
3-bromo-4-chloro-N-(2-chloroethyl)-N-methylbenzamide
CID 107993565
4-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 115769521
3-amino-4-bromo-N-methyl-N-pentylbenzamide
CID 61093599
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
4-bromo-N,N-diethyl-3-methylbenzamide
CID 18960573
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
3-amino-4-bromo-N-[3-(dimethylamino)propyl]-N-methylbenzamide
CID 55227519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide?
The IUPAC name of 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide (CID 107205681) is 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide?
The canonical SMILES for 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)CCCCCCl)ccc1Br.
What is the InChIKey of 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide?
The InChIKey is MQICQBQVDFTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-11-10-12(6-7-13(11)15)14(18)17(2)9-5-3-4-8-16/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide?
4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide has a molecular weight of 332.67 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloropentyl)-N,3-dimethylbenzamide is sourced from PubChem (CID 107205681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).