phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate

C15H13Cl2NO2 — CID 60629562

IUPACphenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-10(11-7-8-13(16)14(17)9-11)18-15(19)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyMRWIUUSZXFZUQA-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.84
Rot. Bonds3

About phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate

phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate (PubChem CID 60629562) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
PubChem CID60629562
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Namephenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-10(11-7-8-13(16)14(17)9-11)18-15(19)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)
InChIKeyMRWIUUSZXFZUQA-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
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CID 81409571
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
[4-[4-[[(1R)-1-(3,4-dichlorophenyl)ethyl]carbamoyl]phenyl]phenyl] acetate
CID 2533185
phenyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 101077414
phenyl N-[1-(4-chlorophenyl)-2-methylpropyl]carbamate
CID 60709177
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766
5-[1-(3,4-dichlorophenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62965218
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
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phenyl N-[1-(2-fluorophenyl)ethyl]carbamate
CID 60630442

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate (CID 60629562) is phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate is CC(NC(=O)Oc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate?
The InChIKey is MRWIUUSZXFZUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-10(11-7-8-13(16)14(17)9-11)18-15(19)20-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate?
phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate has a molecular weight of 310.18 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate is sourced from PubChem (CID 60629562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).