methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate

C11H13Cl2NO2 — CID 110477784

IUPACmethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyRCTBECDOWLDJMP-UHFFFAOYSA-N
MW262.14 g/mol
LogP3.58
Rot. Bonds2

About methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate

methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate (PubChem CID 110477784) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
PubChem CID110477784
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Namemethyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15)
InChIKeyRCTBECDOWLDJMP-UHFFFAOYSA-N
XLogP3.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,5-dichlorophenyl)propan-2-yl]-2-methylpropanamide
CID 110478525
1-[2-(3,5-dichlorophenyl)propan-2-yl]-3-prop-2-enoxyurea
CID 54114932
methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
CID 139316286
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
4-[2-(3,5-dichlorophenyl)propan-2-ylamino]butan-2-one
CID 139705210
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
methyl 3-tert-butyl-5-chlorobenzoate
CID 24729628
1-(3,5-dichlorophenyl)-3-[2-(3,4-dimethoxyphenyl)propan-2-yl]urea
CID 113216726
1-tert-butyl-3,5-dichlorobenzene
CID 23557572
methyl 2-(3,5-dichlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 146446095
N-[2-(3,5-dichlorophenyl)propan-2-yl]-3,3-dimethoxypropan-1-amine
CID 139829410
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
CID 110487750

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The IUPAC name of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate (CID 110477784) is methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The canonical SMILES for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate is COC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
The InChIKey is RCTBECDOWLDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c1-11(2,14-10(15)16-3)7-4-8(12)6-9(13)5-7/h4-6H,1-3H3,(H,14,15).
What are the key properties of methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate?
methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate has a molecular weight of 262.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,5-dichlorophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 110477784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).