tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate

C20H22ClNO3 — CID 53407073

IUPACtert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO3/c1-20(2,3)25-19(24)22-13-15-4-8-16(9-5-15)18(23)12-14-6-10-17(21)11-7-14/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyDMMDCMCQNBWMDJ-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.79
Rot. Bonds5

About tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate (PubChem CID 53407073) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
PubChem CID53407073
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC Nametert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO3/c1-20(2,3)25-19(24)22-13-15-4-8-16(9-5-15)18(23)12-14-6-10-17(21)11-7-14/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyDMMDCMCQNBWMDJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
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tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
tert-butyl N-[[4-[(S)-methylsulfinyl]phenyl]methyl]carbamate
CID 95974235
3-chloro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 22027774
tert-butyl N-[4-[4-(chloromethyl)phenyl]-4-oxobutyl]carbamate
CID 159100091
tert-butyl N-[2-[(4-chlorophenyl)methylamino]-2,3-dimethylbutyl]carbamate
CID 107252617
tert-butyl N-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917028
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoic acid
CID 107241445
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamothioylamino]methyl]benzoic acid
CID 84556078
tert-butyl N-[[4-(2,2-dicyano-1-hydroxyethenyl)phenyl]methyl]carbamate
CID 162755942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate (CID 53407073) is tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate?
The InChIKey is DMMDCMCQNBWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-20(2,3)25-19(24)22-13-15-4-8-16(9-5-15)18(23)12-14-6-10-17(21)11-7-14/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate has a molecular weight of 359.85 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[2-(4-chlorophenyl)acetyl]phenyl]methyl]carbamate is sourced from PubChem (CID 53407073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).