5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide

C14H19BrClNO2 — CID 107908992

IUPAC5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCBr)cc1Cl
InChIInChI=1S/C14H19BrClNO2/c1-10(2)19-13-7-6-11(9-12(13)16)17-14(18)5-3-4-8-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyPIRASQMTTCGHBY-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.63
Rot. Bonds7

About 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide

5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide (PubChem CID 107908992) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
PubChem CID107908992
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCCBr)cc1Cl
InChIInChI=1S/C14H19BrClNO2/c1-10(2)19-13-7-6-11(9-12(13)16)17-14(18)5-3-4-8-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyPIRASQMTTCGHBY-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide 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

6-amino-N-(3-chloro-4-propan-2-yloxyphenyl)hexanamide
CID 43712013
N-(3-chloro-4-propan-2-yloxyphenyl)-4-(methylamino)butanamide
CID 60840814
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 61258739
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
N-(3-chloro-4-ethoxyphenyl)-5-hydroxypentanamide
CID 79199515
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide (CID 107908992) is 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide is CC(C)Oc1ccc(NC(=O)CCCCBr)cc1Cl.
What is the InChIKey of 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide?
The InChIKey is PIRASQMTTCGHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-10(2)19-13-7-6-11(9-12(13)16)17-14(18)5-3-4-8-15/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide?
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide has a molecular weight of 348.67 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide is sourced from PubChem (CID 107908992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).