2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone

C18H17ClN2O — CID 110655455

IUPAC2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H17ClN2O/c1-12-9-13(19)7-8-16(12)20-10-18(22)15-11-21(2)17-6-4-3-5-14(15)17/h3-9,11,20H,10H2,1-2H3
InChIKeyIRCHUXBXSXAVDC-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone

2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655455) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
PubChem CID110655455
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
SMILESCc1cc(Cl)ccc1NCC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C18H17ClN2O/c1-12-9-13(19)7-8-16(12)20-10-18(22)15-11-21(2)17-6-4-3-5-14(15)17/h3-9,11,20H,10H2,1-2H3
InChIKeyIRCHUXBXSXAVDC-UHFFFAOYSA-N
XLogP4.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655508
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
1-(1-methylindol-3-yl)-2-(1-phenylethylamino)ethanone
CID 110655363
2-(3,4-dichlorophenyl)-1-(1-methylindol-3-yl)ethanone
CID 63490619
methyl 1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]indole-3-carboxylate
CID 34232696

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone (CID 110655455) is 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone is Cc1cc(Cl)ccc1NCC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone?
The InChIKey is IRCHUXBXSXAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-12-9-13(19)7-8-16(12)20-10-18(22)15-11-21(2)17-6-4-3-5-14(15)17/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone?
2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone has a molecular weight of 312.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).