N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide

C19H17Cl2N3O — CID 70121828

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1c(C(=O)NN=Cc2ccc(Cl)cc2Cl)[nH]c2ccccc12
InChIInChI=1S/C19H17Cl2N3O/c1-11(2)17-14-5-3-4-6-16(14)23-18(17)19(25)24-22-10-12-7-8-13(20)9-15(12)21/h3-11,23H,1-2H3,(H,24,25)
InChIKeyWVJHPJHTAONHSQ-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.36
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 70121828) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
PubChem CID70121828
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1c(C(=O)NN=Cc2ccc(Cl)cc2Cl)[nH]c2ccccc12
InChIInChI=1S/C19H17Cl2N3O/c1-11(2)17-14-5-3-4-6-16(14)23-18(17)19(25)24-22-10-12-7-8-13(20)9-15(12)21/h3-11,23H,1-2H3,(H,24,25)
InChIKeyWVJHPJHTAONHSQ-UHFFFAOYSA-N
XLogP5.36
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 40609257
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126401287
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110336948
(1S,3S)-N-[(2,4-dichlorophenyl)methylideneamino]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
CID 141400029
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide (CID 70121828) is N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide is CC(C)c1c(C(=O)NN=Cc2ccc(Cl)cc2Cl)[nH]c2ccccc12.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is WVJHPJHTAONHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-11(2)17-14-5-3-4-6-16(14)23-18(17)19(25)24-22-10-12-7-8-13(20)9-15(12)21/h3-11,23H,1-2H3,(H,24,25).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 374.27 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 70121828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).