methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate

C16H17ClN2O2 — CID 104854030

IUPACmethyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-13(17)7-6-12(11)10-18-14-4-3-5-15(9-14)19-16(20)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMAEDDGDDTGAEPB-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.44
Rot. Bonds4

About methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate

methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate (PubChem CID 104854030) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
PubChem CID104854030
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Namemethyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCc2ccc(Cl)cc2C)c1
InChIInChI=1S/C16H17ClN2O2/c1-11-8-13(17)7-6-12(11)10-18-14-4-3-5-15(9-14)19-16(20)21-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyMAEDDGDDTGAEPB-UHFFFAOYSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
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methyl N-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]carbamate
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methyl N-(3-chlorophenyl)carbamate
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methyl N-[3-[(3-bromo-4-methylphenyl)methylamino]phenyl]carbamate
CID 115876107
methyl N-[3-[(2-bromo-5-fluorophenyl)methylamino]phenyl]carbamate
CID 103866126
methyl N-[4-[(2-methylphenyl)methylamino]phenyl]carbamate
CID 43730235
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-methylaniline
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methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
tert-butyl N-[3-[(2-bromo-4-methoxyphenyl)methylamino]phenyl]carbamate
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methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
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N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
CID 114479664

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate (CID 104854030) is methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate is COC(=O)Nc1cccc(NCc2ccc(Cl)cc2C)c1.
What is the InChIKey of methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate?
The InChIKey is MAEDDGDDTGAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-8-13(17)7-6-12(11)10-18-14-4-3-5-15(9-14)19-16(20)21-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate?
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate has a molecular weight of 304.78 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate is sourced from PubChem (CID 104854030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).