[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate

C20H15Cl2N3O3 — CID 1381182

IUPAC[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2N3O3/c21-13-1-5-15(6-2-13)23-19(26)24-16-9-11-18(12-10-16)28-20(27)25-17-7-3-14(22)4-8-17/h1-12H,(H,25,27)(H2,23,24,26)
InChIKeyPYUFXNRXLQZLNC-UHFFFAOYSA-N
MW416.26 g/mol
LogP6.25
Rot. Bonds4

About [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate

[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate (PubChem CID 1381182) has the molecular formula C20H15Cl2N3O3 and a molecular weight of 416.26 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
PubChem CID1381182
Molecular FormulaC20H15Cl2N3O3
Molecular Weight416.26 g/mol
Exact Mass415.05
IUPAC Name[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H15Cl2N3O3/c21-13-1-5-15(6-2-13)23-19(26)24-16-9-11-18(12-10-16)28-20(27)25-17-7-3-14(22)4-8-17/h1-12H,(H,25,27)(H2,23,24,26)
InChIKeyPYUFXNRXLQZLNC-UHFFFAOYSA-N
XLogP6.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.26
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-chlorophenyl)carbamoylamino]phenyl] benzoate
CID 155294828
3,5-bis[(4-chlorophenoxy)carbonylamino]benzoic acid
CID 67542680
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
(4-chlorophenyl) N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 70516403
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(4-acetamidophenyl) 4-chlorobenzoate
CID 586902
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
(2-methyl-1,3-benzoxazol-5-yl) N-(4-chlorophenyl)carbamate
CID 110494897
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
O-[4-[(4-chlorophenyl)carbamoyl]phenyl] N-(4-chlorophenyl)carbamothioate
CID 4623956

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate?
The IUPAC name of [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate (CID 1381182) is [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)Nc1ccc(OC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate?
The InChIKey is PYUFXNRXLQZLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O3/c21-13-1-5-15(6-2-13)23-19(26)24-16-9-11-18(12-10-16)28-20(27)25-17-7-3-14(22)4-8-17/h1-12H,(H,25,27)(H2,23,24,26).
What are the key properties of [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate?
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate has a molecular weight of 416.26 g/mol, XLogP of 6.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 1381182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).