(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

C20H14Cl2N2O2 — CID 2238586

IUPAC(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H14Cl2N2O2/c1-11(19(25)23-16-10-13(21)8-9-15(16)22)24-17-7-3-5-12-4-2-6-14(18(12)17)20(24)26/h2-11H,1H3,(H,23,25)/t11-/m0/s1
InChIKeyKBWVGOKMRKZZSW-NSHDSACASA-N
MW385.25 g/mol
LogP5.13
Rot. Bonds3

About (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide

(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (PubChem CID 2238586) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
PubChem CID2238586
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC Name(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
SMILESC[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C20H14Cl2N2O2/c1-11(19(25)23-16-10-13(21)8-9-15(16)22)24-17-7-3-5-12-4-2-6-14(18(12)17)20(24)26/h2-11H,1H3,(H,23,25)/t11-/m0/s1
InChIKeyKBWVGOKMRKZZSW-NSHDSACASA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2916493
N-(3-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 4565306
(2R)-N-(4-bromophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2237349
(2R)-N-(4-iodophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2227717
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 935641
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470
(2R)-N-(2,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 8760285
N-(2,5-dichlorophenyl)-2-(2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 84571846
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2S)-N-(2-methoxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide
CID 2224775
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The IUPAC name of (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide (CID 2238586) is (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N1C(=O)c2cccc3cccc1c23.
What is the InChIKey of (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
The InChIKey is KBWVGOKMRKZZSW-NSHDSACASA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c1-11(19(25)23-16-10-13(21)8-9-15(16)22)24-17-7-3-5-12-4-2-6-14(18(12)17)20(24)26/h2-11H,1H3,(H,23,25)/t11-/m0/s1.
What are the key properties of (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide?
(2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide has a molecular weight of 385.25 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-dichlorophenyl)-2-(2-oxobenzo[cd]indol-1-yl)propanamide is sourced from PubChem (CID 2238586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).