3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

C13H11Cl2NO2 — CID 7995956

IUPAC3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11Cl2NO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyXAGOGTWHJPRZNI-QMMMGPOBSA-N
MW284.14 g/mol
LogP4.08
Rot. Bonds3

About 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide

3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (PubChem CID 7995956) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
PubChem CID7995956
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccco1
InChIInChI=1S/C13H11Cl2NO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1
InChIKeyXAGOGTWHJPRZNI-QMMMGPOBSA-N
XLogP4.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
4-chloro-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 43399481

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide (CID 7995956) is 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccco1.
What is the InChIKey of 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
The InChIKey is XAGOGTWHJPRZNI-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-8(12-3-2-6-18-12)16-13(17)9-4-5-10(14)11(15)7-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide?
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide has a molecular weight of 284.14 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 7995956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).