(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate

C15H12ClNO4 — CID 4738063

IUPAC(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
SMILESCOc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO4/c1-20-14-7-10(9-18)5-6-13(14)21-15(19)17-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,19)
InChIKeyCGLCEHSNZFXCTD-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.77
Rot. Bonds4

About (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate

(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate (PubChem CID 4738063) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
PubChem CID4738063
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
SMILESCOc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO4/c1-20-14-7-10(9-18)5-6-13(14)21-15(19)17-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,19)
InChIKeyCGLCEHSNZFXCTD-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
CID 6032739
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-(3-chlorophenoxy)-3-methoxybenzaldehyde
CID 141471481
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
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655
[4-[[(3-chlorophenyl)carbamothioylhydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 3642298
[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
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate?
The IUPAC name of (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate (CID 4738063) is (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate?
The canonical SMILES for (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate is COc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate?
The InChIKey is CGLCEHSNZFXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-20-14-7-10(9-18)5-6-13(14)21-15(19)17-12-4-2-3-11(16)8-12/h2-9H,1H3,(H,17,19).
What are the key properties of (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate?
(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate has a molecular weight of 305.72 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 4738063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).