[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate

C20H14Cl2N2O3 — CID 127028067

IUPAC[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N2O3/c21-13-6-9-16(10-7-13)23-19(25)17-12-14(22)8-11-18(17)27-20(26)24-15-4-2-1-3-5-15/h1-12H,(H,23,25)(H,24,26)
InChIKeyOYSSRZMGKIFYKX-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.86
Rot. Bonds4

About [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate

[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate (PubChem CID 127028067) has the molecular formula C20H14Cl2N2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
PubChem CID127028067
Molecular FormulaC20H14Cl2N2O3
Molecular Weight401.25 g/mol
Exact Mass400.04
IUPAC Name[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2N2O3/c21-13-6-9-16(10-7-13)23-19(25)17-12-14(22)8-11-18(17)27-20(26)24-15-4-2-1-3-5-15/h1-12H,(H,23,25)(H,24,26)
InChIKeyOYSSRZMGKIFYKX-UHFFFAOYSA-N
XLogP5.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
5-chloro-N-(4-chlorophenyl)-2-diphenylphosphoryloxybenzamide
CID 121416150
N-(4-bromophenyl)-5-chloro-2-diphenylphosphoryloxybenzamide
CID 121416151
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231907
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 44574093
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-(2-chloroethyl)carbamate
CID 122188848
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
CID 118707131
[4-chloro-2-[[4-(trifluoromethyl)phenyl]carbamoyl]phenyl] N-cyclohexylcarbamate
CID 155556041
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-hexylcarbamate
CID 46231642
[4-chloro-2-[(3-chlorophenyl)carbamoyl]phenyl] N-decylcarbamate
CID 46231703
5-chloro-2-[2-(diethylamino)-2-oxoethoxy]-N-phenylbenzamide
CID 7893374
2-[4-chloro-2-[(3-phenoxyphenyl)carbamoyl]phenoxy]-3-methoxyprop-2-enoic acid
CID 70193189

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate?
The IUPAC name of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate (CID 127028067) is [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate?
The canonical SMILES for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate is O=C(Nc1ccccc1)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate?
The InChIKey is OYSSRZMGKIFYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3/c21-13-6-9-16(10-7-13)23-19(25)17-12-14(22)8-11-18(17)27-20(26)24-15-4-2-1-3-5-15/h1-12H,(H,23,25)(H,24,26).
What are the key properties of [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate?
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate has a molecular weight of 401.25 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] N-phenylcarbamate is sourced from PubChem (CID 127028067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).