tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate

C20H22ClN3O4 — CID 170985605

IUPACtert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H22ClN3O4/c1-12(25)22-15-8-5-13(6-9-15)18(26)23-16-10-7-14(21)11-17(16)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyAUAYWVNTRYYXLH-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate

tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate (PubChem CID 170985605) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate
PubChem CID170985605
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Nametert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H22ClN3O4/c1-12(25)22-15-8-5-13(6-9-15)18(26)23-16-10-7-14(21)11-17(16)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyAUAYWVNTRYYXLH-UHFFFAOYSA-N
XLogP4.90
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-methylphenyl]carbamate
CID 170985606
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-4-bromophenyl]carbamate
CID 67291019
4-acetamidobenzoic acid;tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-fluorophenyl]carbamate;tert-butyl N-(2-amino-5-fluorophenyl)carbamate
CID 162113875
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate (CID 170985605) is tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate is CC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate?
The InChIKey is AUAYWVNTRYYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-12(25)22-15-8-5-13(6-9-15)18(26)23-16-10-7-14(21)11-17(16)24-19(27)28-20(2,3)4/h5-11H,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate?
tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate has a molecular weight of 403.87 g/mol, XLogP of 4.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-acetamidobenzoyl)amino]-5-chlorophenyl]carbamate is sourced from PubChem (CID 170985605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).