5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide

C14H19BrClNO — CID 107908718

IUPAC5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
SMILESCCC(NC(=O)CCCCBr)c1ccc(Cl)cc1
InChIInChI=1S/C14H19BrClNO/c1-2-13(11-6-8-12(16)9-7-11)17-14(18)5-3-4-10-15/h6-9,13H,2-5,10H2,1H3,(H,17,18)
InChIKeyPFPNUOQPZFZHIY-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.47
Rot. Bonds7

About 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide

5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide (PubChem CID 107908718) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
PubChem CID107908718
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
SMILESCCC(NC(=O)CCCCBr)c1ccc(Cl)cc1
InChIInChI=1S/C14H19BrClNO/c1-2-13(11-6-8-12(16)9-7-11)17-14(18)5-3-4-10-15/h6-9,13H,2-5,10H2,1H3,(H,17,18)
InChIKeyPFPNUOQPZFZHIY-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[3-[1-(4-chlorophenyl)propylamino]-3-oxopropyl]benzamide
CID 24600791
3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495
5-bromo-N-(3-methyl-1-phenylbutyl)pentanamide
CID 107908811
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
(E)-4-[1-(4-chlorophenyl)propylamino]-4-oxobut-2-enoic acid
CID 54867988
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfanylbutanamide
CID 110004531
N-[1-(4-chlorophenyl)propyl]-3-phenylbutanamide
CID 24613384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide (CID 107908718) is 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide is CCC(NC(=O)CCCCBr)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide?
The InChIKey is PFPNUOQPZFZHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-2-13(11-6-8-12(16)9-7-11)17-14(18)5-3-4-10-15/h6-9,13H,2-5,10H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide?
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide has a molecular weight of 332.67 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide is sourced from PubChem (CID 107908718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).