2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide

C8H10ClNO3 — CID 106688386

IUPAC2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ccoc1Cl
InChIInChI=1S/C8H10ClNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1
InChIKeyNRNQHAJSMLABDT-YFKPBYRVSA-N
MW203.62 g/mol
LogP1.04
Rot. Bonds3

About 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide

2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide (PubChem CID 106688386) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
PubChem CID106688386
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
SMILESC[C@@H](CO)NC(=O)c1ccoc1Cl
InChIInChI=1S/C8H10ClNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1
InChIKeyNRNQHAJSMLABDT-YFKPBYRVSA-N
XLogP1.04
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
2-[(2-chlorofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106683293
(2S)-2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoic acid
CID 106683406
methyl 2-[(2-chlorofuran-3-carbonyl)amino]-3-methylpentanoate
CID 106686124
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide (CID 106688386) is 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide is C[C@@H](CO)NC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide?
The InChIKey is NRNQHAJSMLABDT-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10ClNO3/c1-5(4-11)10-8(12)6-2-3-13-7(6)9/h2-3,5,11H,4H2,1H3,(H,10,12)/t5-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide?
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide has a molecular weight of 203.62 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 106688386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).