N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

C16H14ClFN2O — CID 162489929

IUPACN-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)CCN2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O/c1-10-2-5-15-11(8-10)6-7-20(15)16(21)19-12-3-4-14(18)13(17)9-12/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeySMNUAHFSPVSMHQ-UHFFFAOYSA-N
MW304.75 g/mol
LogP4.38
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide

N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 162489929) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID162489929
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)CCN2C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H14ClFN2O/c1-10-2-5-15-11(8-10)6-7-20(15)16(21)19-12-3-4-14(18)13(17)9-12/h2-5,8-9H,6-7H2,1H3,(H,19,21)
InChIKeySMNUAHFSPVSMHQ-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
N-(3-imidazol-1-ylphenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 139820772
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881472
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
CID 46276873
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide (CID 162489929) is N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is Cc1ccc2c(c1)CCN2C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is SMNUAHFSPVSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O/c1-10-2-5-15-11(8-10)6-7-20(15)16(21)19-12-3-4-14(18)13(17)9-12/h2-5,8-9H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 304.75 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 162489929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).