N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide

C18H18ClNO2 — CID 17194215

IUPACN-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClNO2/c1-13(2)12-22-16-8-5-7-14(10-16)18(21)20-11-15-6-3-4-9-17(15)19/h3-10H,1,11-12H2,2H3,(H,20,21)
InChIKeyDGJKUDQPGJTNGX-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.22
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide

N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 17194215) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
PubChem CID17194215
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClNO2/c1-13(2)12-22-16-8-5-7-14(10-16)18(21)20-11-15-6-3-4-9-17(15)19/h3-10H,1,11-12H2,2H3,(H,20,21)
InChIKeyDGJKUDQPGJTNGX-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide 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

3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-(2-methylprop-2-enoxy)-N-propylbenzamide
CID 17133083
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
N-[(2-chlorophenyl)methylcarbamothioyl]-3-ethoxybenzamide
CID 17194426
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate
CID 8735586
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
N-[(2-chlorophenyl)methyl]-3-(methylsulfanylmethyl)benzamide
CID 9209764
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide (CID 17194215) is N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cccc(C(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is DGJKUDQPGJTNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-13(2)12-22-16-8-5-7-14(10-16)18(21)20-11-15-6-3-4-9-17(15)19/h3-10H,1,11-12H2,2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide?
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 315.80 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17194215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).