N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

C22H24ClN3O2 — CID 34745053

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-5-26(6-2)22(28)17-9-8-16(12-19(17)23)25-21(27)15-7-10-20-18(11-15)13(3)14(4)24-20/h7-12,24H,5-6H2,1-4H3,(H,25,27)
InChIKeyKWBWVRUZKMRLGN-UHFFFAOYSA-N
MW397.91 g/mol
LogP5.17
Rot. Bonds5

About N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 34745053) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID34745053
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-5-26(6-2)22(28)17-9-8-16(12-19(17)23)25-21(27)15-7-10-20-18(11-15)13(3)14(4)24-20/h7-12,24H,5-6H2,1-4H3,(H,25,27)
InChIKeyKWBWVRUZKMRLGN-UHFFFAOYSA-N
XLogP5.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.91
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N-[3-(dimethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30378480
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
2-chloro-N,N-diethyl-4-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 55673174
2-chloro-N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 34746028
N-ethyl-2,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-5-carboxamide
CID 43430184
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
CID 120620961
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
N-[4-[3-(dimethylamino)propoxy]phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 86898701

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 34745053) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is KWBWVRUZKMRLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-5-26(6-2)22(28)17-9-8-16(12-19(17)23)25-21(27)15-7-10-20-18(11-15)13(3)14(4)24-20/h7-12,24H,5-6H2,1-4H3,(H,25,27).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 34745053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).