2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide

C14H14ClNO3 — CID 109399474

IUPAC2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccco2)c1Cl
InChIInChI=1S/C14H14ClNO3/c1-9-4-2-5-10(13(9)15)14(18)16-8-11(17)12-6-3-7-19-12/h2-7,11,17H,8H2,1H3,(H,16,18)
InChIKeyROSWCRLDPVFPCZ-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide

2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide (PubChem CID 109399474) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
PubChem CID109399474
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2ccco2)c1Cl
InChIInChI=1S/C14H14ClNO3/c1-9-4-2-5-10(13(9)15)14(18)16-8-11(17)12-6-3-7-19-12/h2-7,11,17H,8H2,1H3,(H,16,18)
InChIKeyROSWCRLDPVFPCZ-UHFFFAOYSA-N
XLogP2.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxyethyl]-4-methylthiophene-3-carboxamide
CID 111788924
(2S)-3-[(2-chloro-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833154
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
methyl 2-chloro-3-[(2-chloro-3-methylbenzoyl)amino]propanoate
CID 103492705
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
3,4-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 110889301
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 80710543
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
2-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbenzamide
CID 103852810
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
2-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methyltriazole-4-carboxamide
CID 78867509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide (CID 109399474) is 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)c2ccco2)c1Cl.
What is the InChIKey of 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide?
The InChIKey is ROSWCRLDPVFPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-9-4-2-5-10(13(9)15)14(18)16-8-11(17)12-6-3-7-19-12/h2-7,11,17H,8H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide?
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide has a molecular weight of 279.72 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylbenzamide is sourced from PubChem (CID 109399474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).