(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate

C14H11Cl2NO3 — CID 1471296

IUPAC(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
SMILESO=C(N/C=C/c1ccco1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-11-4-3-10(13(16)8-11)9-20-14(18)17-6-5-12-2-1-7-19-12/h1-8H,9H2,(H,17,18)/b6-5+
InChIKeyWVASQPZPESGBRO-AATRIKPKSA-N
MW312.15 g/mol
LogP4.48
Rot. Bonds4

About (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate

(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate (PubChem CID 1471296) has the molecular formula C14H11Cl2NO3 and a molecular weight of 312.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
PubChem CID1471296
Molecular FormulaC14H11Cl2NO3
Molecular Weight312.15 g/mol
Exact Mass311.01
IUPAC Name(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate
SMILESO=C(N/C=C/c1ccco1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO3/c15-11-4-3-10(13(16)8-11)9-20-14(18)17-6-5-12-2-1-7-19-12/h1-8H,9H2,(H,17,18)/b6-5+
InChIKeyWVASQPZPESGBRO-AATRIKPKSA-N
XLogP4.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.15
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)methyl N-(2-chlorobenzoyl)carbamate
CID 2798263
S-(4-chlorophenyl) N-[2-(furan-2-yl)ethenyl]carbamothioate
CID 5099638
2,4-dichloro-N-[2-[[(1E,3Z)-4-(furan-2-yl)buta-1,3-dienyl]carbamoyl]phenyl]benzamide
CID 143034725
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
2-[(2,4-dichlorophenyl)methoxy]furan
CID 170647412
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5122314
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
CID 2798270
(E)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 6134681
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302
1-benzyl-3-[2-(furan-2-yl)ethenyl]urea
CID 4262431

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate (CID 1471296) is (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate is O=C(N/C=C/c1ccco1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate?
The InChIKey is WVASQPZPESGBRO-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11Cl2NO3/c15-11-4-3-10(13(16)8-11)9-20-14(18)17-6-5-12-2-1-7-19-12/h1-8H,9H2,(H,17,18)/b6-5+.
What are the key properties of (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate?
(2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate has a molecular weight of 312.15 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-[(E)-2-(furan-2-yl)ethenyl]carbamate is sourced from PubChem (CID 1471296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).