3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide

C18H16Cl2N2O2 — CID 42467160

IUPAC3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16Cl2N2O2/c19-15-7-5-13(9-16(15)20)18(24)21-10-17(23)22-14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2,(H,21,24)(H,22,23)
InChIKeyMSLZSZZFZYMNSU-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.85
Rot. Bonds4

About 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide

3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide (PubChem CID 42467160) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
PubChem CID42467160
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16Cl2N2O2/c19-15-7-5-13(9-16(15)20)18(24)21-10-17(23)22-14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2,(H,21,24)(H,22,23)
InChIKeyMSLZSZZFZYMNSU-UHFFFAOYSA-N
XLogP3.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3,4-dichlorobenzamide;hydroiodide
CID 111055808
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-iodobenzamide
CID 103220953
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26592239
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]anilino]-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 86900731
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide (CID 42467160) is 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide?
The InChIKey is MSLZSZZFZYMNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-15-7-5-13(9-16(15)20)18(24)21-10-17(23)22-14-6-4-11-2-1-3-12(11)8-14/h4-9H,1-3,10H2,(H,21,24)(H,22,23).
What are the key properties of 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide has a molecular weight of 363.24 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 42467160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).