N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

C19H16Cl2N2O — CID 113211833

IUPACN-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2N2O/c1-11-17(13-4-2-3-5-16(13)22-11)19(8-9-19)18(24)23-12-6-7-14(20)15(21)10-12/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyBYLPQCGRDABCBU-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.45
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide

N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113211833) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113211833
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC NameN-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H16Cl2N2O/c1-11-17(13-4-2-3-5-16(13)22-11)19(8-9-19)18(24)23-12-6-7-14(20)15(21)10-12/h2-7,10,22H,8-9H2,1H3,(H,23,24)
InChIKeyBYLPQCGRDABCBU-UHFFFAOYSA-N
XLogP5.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211787
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
N-(3-chloro-4-methylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439353
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211726
N-methyl-1-(2-methyl-1H-indol-3-yl)-N-phenylcyclopropane-1-carboxamide
CID 113211761
(2Z)-2-[(3Z)-3-[1-(3,4-dichloroanilino)-1-oxopropan-2-ylidene]isoindol-1-ylidene]-N-(3,4-dichlorophenyl)propanamide
CID 129160039
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
2-(2-methyl-1H-indol-3-yl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3251424
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113211833) is N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is Cc1[nH]c2ccccc2c1C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is BYLPQCGRDABCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-11-17(13-4-2-3-5-16(13)22-11)19(8-9-19)18(24)23-12-6-7-14(20)15(21)10-12/h2-7,10,22H,8-9H2,1H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 359.26 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113211833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).