(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide

C23H25ClN2O — CID 10474935

IUPAC(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O/c1-3-15-26(16-4-2)22(27)14-13-20-19-7-5-6-8-21(19)25-23(20)17-9-11-18(24)12-10-17/h5-14,25H,3-4,15-16H2,1-2H3/b14-13+
InChIKeyODCXRSGXZAXDFE-BUHFOSPRSA-N
MW380.92 g/mol
LogP6.15
Rot. Bonds7

About (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide

(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide (PubChem CID 10474935) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide
PubChem CID10474935
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide
SMILESCCCN(CCC)C(=O)/C=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
InChIInChI=1S/C23H25ClN2O/c1-3-15-26(16-4-2)22(27)14-13-20-19-7-5-6-8-21(19)25-23(20)17-9-11-18(24)12-10-17/h5-14,25H,3-4,15-16H2,1-2H3/b14-13+
InChIKeyODCXRSGXZAXDFE-BUHFOSPRSA-N
XLogP6.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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N-[6-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)acrylamide
CID 11397926
2-acetyl-8-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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CID 363110

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide?
The IUPAC name of (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide (CID 10474935) is (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide is CCCN(CCC)C(=O)/C=C/c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12.
What is the InChIKey of (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide?
The InChIKey is ODCXRSGXZAXDFE-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-3-15-26(16-4-2)22(27)14-13-20-19-7-5-6-8-21(19)25-23(20)17-9-11-18(24)12-10-17/h5-14,25H,3-4,15-16H2,1-2H3/b14-13+.
What are the key properties of (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide?
(E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide has a molecular weight of 380.92 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-chlorophenyl)-1H-indol-3-yl]-N,N-dipropylprop-2-enamide is sourced from PubChem (CID 10474935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).