N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide

C14H18BrNO2 — CID 79201119

IUPACN-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
SMILESO=C(CCCO)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C14H18BrNO2/c15-13-5-2-1-4-11(13)10-16(12-7-8-12)14(18)6-3-9-17/h1-2,4-5,12,17H,3,6-10H2
InChIKeyJEVZOUMNFPVDNB-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.71
Rot. Bonds6

About N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide

N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide (PubChem CID 79201119) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
PubChem CID79201119
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
SMILESO=C(CCCO)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C14H18BrNO2/c15-13-5-2-1-4-11(13)10-16(12-7-8-12)14(18)6-3-9-17/h1-2,4-5,12,17H,3,6-10H2
InChIKeyJEVZOUMNFPVDNB-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide 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

4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-bromophenyl)methyl]-N-cyclopropylacetamide
CID 61106358
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide (CID 79201119) is N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide is O=C(CCCO)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide?
The InChIKey is JEVZOUMNFPVDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-13-5-2-1-4-11(13)10-16(12-7-8-12)14(18)6-3-9-17/h1-2,4-5,12,17H,3,6-10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide?
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide has a molecular weight of 312.21 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide is sourced from PubChem (CID 79201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).