N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

C19H20ClNO2 — CID 59448526

IUPACN-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
SMILESO=C(C1Cc2c(Cl)cccc21)N(CCCO)Cc1ccccc1
InChIInChI=1S/C19H20ClNO2/c20-18-9-4-8-15-16(18)12-17(15)19(23)21(10-5-11-22)13-14-6-2-1-3-7-14/h1-4,6-9,17,22H,5,10-13H2
InChIKeyFGSKQJJLENVXTA-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.39
Rot. Bonds6

About N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide

N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide (PubChem CID 59448526) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
PubChem CID59448526
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
SMILESO=C(C1Cc2c(Cl)cccc21)N(CCCO)Cc1ccccc1
InChIInChI=1S/C19H20ClNO2/c20-18-9-4-8-15-16(18)12-17(15)19(23)21(10-5-11-22)13-14-6-2-1-3-7-14/h1-4,6-9,17,22H,5,10-13H2
InChIKeyFGSKQJJLENVXTA-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide 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-ethyl-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113339452
2-amino-N-benzyl-N-(3-hydroxypropyl)acetamide
CID 139387164
N-benzyl-N-(2-hydroxyethyl)-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 59448548
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
trans-(1S,3S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 91759896
N-benzyl-N-(2-hydroxyethyl)-4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 59448489
tert-butyl N-benzyl-N-(3-hydroxypropyl)carbamate
CID 10015720
(E)-N-benzyl-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 78854693
(1S)-N-(3-hydroxypropyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 97329073
cis-(1R,3S)-3-amino-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 133130182
N-benzyl-4-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide
CID 167777740
1-tert-butyl-N-[(4-chlorophenyl)methyl]-N-(3-hydroxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 131949171

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The IUPAC name of N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide (CID 59448526) is N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide.
What is the SMILES notation for N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The canonical SMILES for N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide is O=C(C1Cc2c(Cl)cccc21)N(CCCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
The InChIKey is FGSKQJJLENVXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-18-9-4-8-15-16(18)12-17(15)19(23)21(10-5-11-22)13-14-6-2-1-3-7-14/h1-4,6-9,17,22H,5,10-13H2.
What are the key properties of N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide?
N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxamide is sourced from PubChem (CID 59448526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).