[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate

C16H14ClNO4 — CID 14595424

IUPAC[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1ccccc1C1OCCO1
InChIInChI=1S/C16H14ClNO4/c17-11-4-3-5-12(10-11)18-16(19)22-14-7-2-1-6-13(14)15-20-8-9-21-15/h1-7,10,15H,8-9H2,(H,18,19)
InChIKeyWGTWMQKYICEELO-UHFFFAOYSA-N
MW319.74 g/mol
LogP4.00
Rot. Bonds3

About [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate

[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate (PubChem CID 14595424) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate
PubChem CID14595424
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1ccccc1C1OCCO1
InChIInChI=1S/C16H14ClNO4/c17-11-4-3-5-12(10-11)18-16(19)22-14-7-2-1-6-13(14)15-20-8-9-21-15/h1-7,10,15H,8-9H2,(H,18,19)
InChIKeyWGTWMQKYICEELO-UHFFFAOYSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-chlorophenyl)carbamate
CID 16529
(4-formyl-2-methoxyphenyl) N-(3-chlorophenyl)carbamate
CID 4738063
1,3-benzodioxol-5-yl N-(3-chlorophenyl)carbamate
CID 127552969
[5-(chloromethyl)-1,2-oxazol-3-yl] N-(3-chlorophenyl)carbamate
CID 3769156
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-(3-chlorophenyl)carbamate
CID 6032739
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
(2-chloro-4-fluorophenyl) N-(3-fluorophenyl)carbamate
CID 4287006
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate (CID 14595424) is [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)Oc1ccccc1C1OCCO1.
What is the InChIKey of [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate?
The InChIKey is WGTWMQKYICEELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c17-11-4-3-5-12(10-11)18-16(19)22-14-7-2-1-6-13(14)15-20-8-9-21-15/h1-7,10,15H,8-9H2,(H,18,19).
What are the key properties of [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate?
[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate has a molecular weight of 319.74 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 14595424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).