N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C20H16ClNO — CID 23992050

IUPACN-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H16ClNO/c1-12-17(21)6-3-7-18(12)22-20(23)16-11-10-14-9-8-13-4-2-5-15(16)19(13)14/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyXAHMXXOFHKBTFU-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.15
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 23992050) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID23992050
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC NameN-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H16ClNO/c1-12-17(21)6-3-7-18(12)22-20(23)16-11-10-14-9-8-13-4-2-5-15(16)19(13)14/h2-7,10-11H,8-9H2,1H3,(H,22,23)
InChIKeyXAHMXXOFHKBTFU-UHFFFAOYSA-N
XLogP5.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-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-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 91962579
N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23940641
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
2,4-dibromo-N-(3-chloro-2-methylphenyl)benzamide
CID 113345152
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 3533198
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 31759188
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 23992050) is N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is XAHMXXOFHKBTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-12-17(21)6-3-7-18(12)22-20(23)16-11-10-14-9-8-13-4-2-5-15(16)19(13)14/h2-7,10-11H,8-9H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 23992050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).