N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide

C18H19ClN2O — CID 109034837

IUPACN-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCc3ccccc32)cc1Cl
InChIInChI=1S/C18H19ClN2O/c1-13-6-7-15(12-16(13)19)20-18(22)9-11-21-10-8-14-4-2-3-5-17(14)21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyWTMVQIXQARZZOX-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.04
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide

N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide (PubChem CID 109034837) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
PubChem CID109034837
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCc3ccccc32)cc1Cl
InChIInChI=1S/C18H19ClN2O/c1-13-6-7-15(12-16(13)19)20-18(22)9-11-21-10-8-14-4-2-3-5-17(14)21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyWTMVQIXQARZZOX-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034835
N-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8897194
N-(5-chloro-2-methoxyphenyl)-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034841
1-(3-chloro-4-methylphenyl)-3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]thiourea
CID 8659432
N-[4-(diethylamino)-2-methylphenyl]-3-(2,3-dihydroindol-1-yl)propanamide
CID 109034896
N-(3-chloro-4-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979400
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
N-(3-chloro-4-methylphenyl)-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171691578
N-(3-chloro-4-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 109008682
2-(2,3-dihydroindol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8704410

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide (CID 109034837) is N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide is Cc1ccc(NC(=O)CCN2CCc3ccccc32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide?
The InChIKey is WTMVQIXQARZZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-6-7-15(12-16(13)19)20-18(22)9-11-21-10-8-14-4-2-3-5-17(14)21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide?
N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide has a molecular weight of 314.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2,3-dihydroindol-1-yl)propanamide is sourced from PubChem (CID 109034837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).