5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide

C16H22BrNO — CID 107909347

IUPAC5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCc1cccc(CN(C(=O)CCCCBr)C2CC2)c1
InChIInChI=1S/C16H22BrNO/c1-13-5-4-6-14(11-13)12-18(15-8-9-15)16(19)7-2-3-10-17/h4-6,11,15H,2-3,7-10,12H2,1H3
InChIKeyZAANCJIUCSCTJT-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.05
Rot. Bonds7

About 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide

5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide (PubChem CID 107909347) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
PubChem CID107909347
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCc1cccc(CN(C(=O)CCCCBr)C2CC2)c1
InChIInChI=1S/C16H22BrNO/c1-13-5-4-6-14(11-13)12-18(15-8-9-15)16(19)7-2-3-10-17/h4-6,11,15H,2-3,7-10,12H2,1H3
InChIKeyZAANCJIUCSCTJT-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.05
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 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]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

N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
(E)-4-[cyclopropyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 39360084
6-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]hexanamide
CID 60964131
1-(aminomethyl)-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 115452811
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
CID 56539357
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 86925489
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-cyclopropyl-N-[(3-methylphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 86925475
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 79987448
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide (CID 107909347) is 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide is Cc1cccc(CN(C(=O)CCCCBr)C2CC2)c1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide?
The InChIKey is ZAANCJIUCSCTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-13-5-4-6-14(11-13)12-18(15-8-9-15)16(19)7-2-3-10-17/h4-6,11,15H,2-3,7-10,12H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide?
5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide has a molecular weight of 324.26 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(3-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 107909347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).