(4-chlorofuran-2-yl)methylcarbamic acid

C6H6ClNO3 — CID 66605978

IUPAC(4-chlorofuran-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc(Cl)co1
InChIInChI=1S/C6H6ClNO3/c7-4-1-5(11-3-4)2-8-6(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyYYAFJYGVANRXTD-UHFFFAOYSA-N
MW175.57 g/mol
LogP1.70
Rot. Bonds2

About (4-chlorofuran-2-yl)methylcarbamic acid

(4-chlorofuran-2-yl)methylcarbamic acid (PubChem CID 66605978) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is (4-chlorofuran-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-chlorofuran-2-yl)methylcarbamic acid
PubChem CID66605978
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name(4-chlorofuran-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc(Cl)co1
InChIInChI=1S/C6H6ClNO3/c7-4-1-5(11-3-4)2-8-6(9)10/h1,3,8H,2H2,(H,9,10)
InChIKeyYYAFJYGVANRXTD-UHFFFAOYSA-N
XLogP1.70
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-[(4-chlorofuran-2-yl)methylsulfamoyl]benzoic acid
CID 70384495
(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid
CID 174238438
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
(5-bromo-7-chloro-3-deuterio-1-benzofuran-2-yl)methylcarbamic acid
CID 126601609
[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide
CID 163532374
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
5-[[(6-chloro-1,3-benzodioxol-5-yl)amino]methyl]furan-3-carboxylic acid
CID 104608322
[3-(6-chlorofuro[3,2-b]pyridin-3-yl)phenyl]methylcarbamic acid
CID 174224767
3-(4-chlorofuran-2-yl)prop-2-enoic acid
CID 131855397
methyl 5-[[(4-chlorophenyl)methylamino]methyl]furan-3-carboxylate
CID 104585879

Frequently Asked Questions

What is the IUPAC name of (4-chlorofuran-2-yl)methylcarbamic acid?
The IUPAC name of (4-chlorofuran-2-yl)methylcarbamic acid (CID 66605978) is (4-chlorofuran-2-yl)methylcarbamic acid.
What is the SMILES notation for (4-chlorofuran-2-yl)methylcarbamic acid?
The canonical SMILES for (4-chlorofuran-2-yl)methylcarbamic acid is O=C(O)NCc1cc(Cl)co1.
What is the InChIKey of (4-chlorofuran-2-yl)methylcarbamic acid?
The InChIKey is YYAFJYGVANRXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c7-4-1-5(11-3-4)2-8-6(9)10/h1,3,8H,2H2,(H,9,10).
What are the key properties of (4-chlorofuran-2-yl)methylcarbamic acid?
(4-chlorofuran-2-yl)methylcarbamic acid has a molecular weight of 175.57 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorofuran-2-yl)methylcarbamic acid is sourced from PubChem (CID 66605978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).