N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H16ClNO — CID 9011354

IUPACN-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNO/c1-11-15(18)6-3-7-16(11)19-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,19,20)
InChIKeyLGESIYIEKFMZGN-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.39
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9011354) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9011354
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNO/c1-11-15(18)6-3-7-16(11)19-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,19,20)
InChIKeyLGESIYIEKFMZGN-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-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-bromo-3-chlorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103479830
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011538
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(3-chloro-2-methylphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384060
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
1-(3-chloro-2-methylphenyl)-3-(2,3-dihydro-1H-inden-5-yl)thiourea
CID 19648896
N-[2-(methanesulfonamido)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 35368490
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 46803663
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 9011354) is N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LGESIYIEKFMZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-15(18)6-3-7-16(11)19-17(20)14-9-8-12-4-2-5-13(12)10-14/h3,6-10H,2,4-5H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 4.39, 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)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9011354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).