3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide

C15H21BrClNO — CID 114019948

IUPAC3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(Cl)cc(Br)c1)C(C)C
InChIInChI=1S/C15H21BrClNO/c1-4-5-6-7-18(11(2)3)15(19)12-8-13(16)10-14(17)9-12/h8-11H,4-7H2,1-3H3
InChIKeyPKBPYXSUSKPVKV-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.14
Rot. Bonds6

About 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide

3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide (PubChem CID 114019948) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
PubChem CID114019948
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
SMILESCCCCCN(C(=O)c1cc(Cl)cc(Br)c1)C(C)C
InChIInChI=1S/C15H21BrClNO/c1-4-5-6-7-18(11(2)3)15(19)12-8-13(16)10-14(17)9-12/h8-11H,4-7H2,1-3H3
InChIKeyPKBPYXSUSKPVKV-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-butyl-5-chloro-N-methylbenzamide
CID 110415930
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 60956424
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2-chloro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026400
5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 63859266
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide (CID 114019948) is 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide is CCCCCN(C(=O)c1cc(Cl)cc(Br)c1)C(C)C.
What is the InChIKey of 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide?
The InChIKey is PKBPYXSUSKPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-4-5-6-7-18(11(2)3)15(19)12-8-13(16)10-14(17)9-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide?
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide has a molecular weight of 346.70 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 114019948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).