[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate

C17H16ClNO3 — CID 6032739

IUPAC[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
SMILESC/C=C/c1ccc(OC(=O)Nc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H16ClNO3/c1-3-5-12-8-9-15(16(10-12)21-2)22-17(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b5-3+
InChIKeyCBDJSBFOFUIRGZ-HWKANZROSA-N
MW317.77 g/mol
LogP4.99
Rot. Bonds4

About [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate (PubChem CID 6032739) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
PubChem CID6032739
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
SMILESC/C=C/c1ccc(OC(=O)Nc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H16ClNO3/c1-3-5-12-8-9-15(16(10-12)21-2)22-17(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b5-3+
InChIKeyCBDJSBFOFUIRGZ-HWKANZROSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
CID 4738063
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89121058
1-(3-chlorophenyl)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]thiourea
CID 9480211
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
N-(3-chlorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 3477452
methyl N-(3-chlorophenyl)carbamate
CID 16529
N-(3-acetylphenyl)-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 4879965
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726271
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654166
[2-(3-chloroanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 7726788

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate (CID 6032739) is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate is C/C=C/c1ccc(OC(=O)Nc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate?
The InChIKey is CBDJSBFOFUIRGZ-HWKANZROSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-3-5-12-8-9-15(16(10-12)21-2)22-17(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b5-3+.
What are the key properties of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate?
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate has a molecular weight of 317.77 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 6032739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).