tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate

C19H21Cl2NO3 — CID 122714734

IUPACtert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-19(2,3)25-18(23)22-11-13-4-7-15(8-5-13)24-12-14-6-9-16(20)17(21)10-14/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyUAXDVZMROHRWRN-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.60
Rot. Bonds5

About tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate

tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate (PubChem CID 122714734) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
PubChem CID122714734
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Nametert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO3/c1-19(2,3)25-18(23)22-11-13-4-7-15(8-5-13)24-12-14-6-9-16(20)17(21)10-14/h4-10H,11-12H2,1-3H3,(H,22,23)
InChIKeyUAXDVZMROHRWRN-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-(2-aminoethoxy)phenyl]methyl]carbamate
CID 156874052
tert-butyl N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]carbamate
CID 54547080
tert-butyl N-[[2-chloro-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 146388370
tert-butyl N-[[4-(phenoxymethyl)-2-pyridinyl]methyl]carbamate
CID 156818686
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
CID 20610080
tert-butyl N-[3-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]-3-oxopropyl]carbamate
CID 38525612
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]carbamate
CID 54483858
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
methyl 2-[4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]phenoxy]acetate
CID 91382246
tert-butyl N-[[4-(trifluoromethoxy)phenyl]methyl]carbamate
CID 63787638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate (CID 122714734) is tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate?
The InChIKey is UAXDVZMROHRWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-19(2,3)25-18(23)22-11-13-4-7-15(8-5-13)24-12-14-6-9-16(20)17(21)10-14/h4-10H,11-12H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate has a molecular weight of 382.29 g/mol, XLogP of 5.60, 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-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate is sourced from PubChem (CID 122714734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).