(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate

C14H9Cl4NO2 — CID 27102174

IUPAC(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4NO2/c15-9-2-1-8(12(17)5-9)7-21-14(20)19-10-3-4-11(16)13(18)6-10/h1-6H,7H2,(H,19,20)
InChIKeyGICDRFMGEWKVSC-UHFFFAOYSA-N
MW365.04 g/mol
LogP6.05
Rot. Bonds3

About (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate

(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate (PubChem CID 27102174) has the molecular formula C14H9Cl4NO2 and a molecular weight of 365.04 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
PubChem CID27102174
Molecular FormulaC14H9Cl4NO2
Molecular Weight365.04 g/mol
Exact Mass362.94
IUPAC Name(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H9Cl4NO2/c15-9-2-1-8(12(17)5-9)7-21-14(20)19-10-3-4-11(16)13(18)6-10/h1-6H,7H2,(H,19,20)
InChIKeyGICDRFMGEWKVSC-UHFFFAOYSA-N
XLogP6.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.04
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
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[(E)-but-2-enyl] N-(3,4-dichlorophenyl)carbamate
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2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl propanoate
CID 159240658
2-chloroethyl N-[3-chloro-4-(2-chloroethyl)phenyl]carbamate
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(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
[3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium-1-yl] N-(3,4-dichlorophenyl)carbamate;chloride;hydrate
CID 88845341
(3,5-dichlorophenyl) N-(3,4-dichlorophenyl)carbamate
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(2,4-dichlorophenyl)methyl N-(2-chloro-6-fluorobenzoyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate (CID 27102174) is (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is GICDRFMGEWKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl4NO2/c15-9-2-1-8(12(17)5-9)7-21-14(20)19-10-3-4-11(16)13(18)6-10/h1-6H,7H2,(H,19,20).
What are the key properties of (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate?
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate has a molecular weight of 365.04 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 27102174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).