N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide

C15H21BrClNO — CID 113445559

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C15H21BrClNO/c1-4-6-11(7-5-2)15(19)18-14-9-13(17)10(3)8-12(14)16/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyDZFBOBVWQCPBET-UHFFFAOYSA-N
MW346.70 g/mol
LogP5.57
Rot. Bonds6

About N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide

N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide (PubChem CID 113445559) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
PubChem CID113445559
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C15H21BrClNO/c1-4-6-11(7-5-2)15(19)18-14-9-13(17)10(3)8-12(14)16/h8-9,11H,4-7H2,1-3H3,(H,18,19)
InChIKeyDZFBOBVWQCPBET-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723589
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)butanamide
CID 104723691
3-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]hexanoic acid
CID 104724720
(2R)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-4-methylpentanamide
CID 104903984
N-(2-bromo-5-chloro-4-methylphenyl)hexanamide
CID 104724053
(2S)-2-amino-N-(2-bromo-5-chloro-4-methylphenyl)-3,3-dimethylbutanamide
CID 113445501
3-(2-bromo-5-chloro-4-methylphenyl)-1,1-diethylurea
CID 104724253
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]acetic acid
CID 104724802
3-(2-bromo-5-chloro-4-methylphenyl)-1-ethyl-1-methylurea
CID 104724220
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide (CID 113445559) is N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide?
The InChIKey is DZFBOBVWQCPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-4-6-11(7-5-2)15(19)18-14-9-13(17)10(3)8-12(14)16/h8-9,11H,4-7H2,1-3H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide has a molecular weight of 346.70 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-2-propylpentanamide is sourced from PubChem (CID 113445559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).