methyl N-[4-(furan-2-yl)phenyl]carbamate

C12H11NO3 — CID 168528272

IUPACmethyl N-[4-(furan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H11NO3/c1-15-12(14)13-10-6-4-9(5-7-10)11-3-2-8-16-11/h2-8H,1H3,(H,13,14)
InChIKeyYEAIGRPDMRLFTH-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.12
Rot. Bonds2

About methyl N-[4-(furan-2-yl)phenyl]carbamate

methyl N-[4-(furan-2-yl)phenyl]carbamate (PubChem CID 168528272) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl N-[4-(furan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(furan-2-yl)phenyl]carbamate
PubChem CID168528272
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl N-[4-(furan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2ccco2)cc1
InChIInChI=1S/C12H11NO3/c1-15-12(14)13-10-6-4-9(5-7-10)11-3-2-8-16-11/h2-8H,1H3,(H,13,14)
InChIKeyYEAIGRPDMRLFTH-UHFFFAOYSA-N
XLogP3.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-(furan-2-yl)phenyl]acetamide
CID 168525338
N-[4-(furan-2-yl)phenyl]-3-methylbutanamide
CID 168525798
methyl 2-[4-(furan-2-yl)phenyl]acetate
CID 168524506
N-[4-(furan-2-yl)phenyl]pyridine-3-carboxamide
CID 168526932
4-(furan-2-yl)-N-(2-methoxyethyl)benzamide
CID 168525529
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
methyl N-(4-sulfanylphenyl)carbamate
CID 603048
4-(furan-2-yl)benzoyl chloride
CID 7537504
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
CID 106853285
propan-2-yl 4-(furan-2-yl)benzoate
CID 168528785
CID 68594224
CID 68594224

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(furan-2-yl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(furan-2-yl)phenyl]carbamate (CID 168528272) is methyl N-[4-(furan-2-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(furan-2-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(furan-2-yl)phenyl]carbamate is COC(=O)Nc1ccc(-c2ccco2)cc1.
What is the InChIKey of methyl N-[4-(furan-2-yl)phenyl]carbamate?
The InChIKey is YEAIGRPDMRLFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12(14)13-10-6-4-9(5-7-10)11-3-2-8-16-11/h2-8H,1H3,(H,13,14).
What are the key properties of methyl N-[4-(furan-2-yl)phenyl]carbamate?
methyl N-[4-(furan-2-yl)phenyl]carbamate has a molecular weight of 217.22 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(furan-2-yl)phenyl]carbamate is sourced from PubChem (CID 168528272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).