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

C18H20ClN3O3 — CID 138469738

IUPACtert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)25-17(24)22-15-10-8-14(9-11-15)21-16(23)20-13-6-4-12(19)5-7-13/h4-11H,1-3H3,(H,22,24)(H2,20,21,23)
InChIKeyZKVAYFLNRKGQHU-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.33
Rot. Bonds3

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

tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate (PubChem CID 138469738) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
PubChem CID138469738
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Nametert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O3/c1-18(2,3)25-17(24)22-15-10-8-14(9-11-15)21-16(23)20-13-6-4-12(19)5-7-13/h4-11H,1-3H3,(H,22,24)(H2,20,21,23)
InChIKeyZKVAYFLNRKGQHU-UHFFFAOYSA-N
XLogP5.33
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-(4-propan-2-ylphenyl)carbamate
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tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate
CID 80979261
tert-butyl N-[6-(4-chloroanilino)-3-pyridinyl]carbamate
CID 113018638
tert-butyl N-[4-[2-(4-chlorophenyl)ethylcarbamoyl]phenyl]carbamate
CID 9268246
[4-[(4-chlorophenyl)carbamoylamino]phenyl] N-(4-chlorophenyl)carbamate
CID 1381182
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]carbamate
CID 171782912
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate (CID 138469738) is tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate?
The InChIKey is ZKVAYFLNRKGQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-18(2,3)25-17(24)22-15-10-8-14(9-11-15)21-16(23)20-13-6-4-12(19)5-7-13/h4-11H,1-3H3,(H,22,24)(H2,20,21,23).
What are the key properties of tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate?
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate has a molecular weight of 361.83 g/mol, XLogP of 5.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate is sourced from PubChem (CID 138469738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).