1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate

C17H18F2N2O3 — CID 174481357

IUPAC1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate
SMILESCOc1cc(NCc2ccc(F)cc2F)ccc1C(C)OC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(24-17(20)22)14-6-5-13(8-16(14)23-2)21-9-11-3-4-12(18)7-15(11)19/h3-8,10,21H,9H2,1-2H3,(H2,20,22)
InChIKeyIHALNMSJDJUFKD-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate

1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate (PubChem CID 174481357) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate.

Molecular Properties

Compound Name1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate
PubChem CID174481357
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate
SMILESCOc1cc(NCc2ccc(F)cc2F)ccc1C(C)OC(N)=O
InChIInChI=1S/C17H18F2N2O3/c1-10(24-17(20)22)14-6-5-13(8-16(14)23-2)21-9-11-3-4-12(18)7-15(11)19/h3-8,10,21H,9H2,1-2H3,(H2,20,22)
InChIKeyIHALNMSJDJUFKD-UHFFFAOYSA-N
XLogP3.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate
CID 175279240
methyl 2-amino-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 62227778
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
methyl 2-chloro-5-[(2,4-difluorophenyl)methylamino]benzoate
CID 43672668
N-[(2,4-difluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 115587219
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[(4-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 114841875
methyl 4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxylate
CID 66285458
N-[(2,4-difluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 43728649
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
4-[(3,4-dimethoxyanilino)methyl]-3-fluorobenzonitrile
CID 28575181
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate?
The IUPAC name of 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate (CID 174481357) is 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate.
What is the SMILES notation for 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate?
The canonical SMILES for 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate is COc1cc(NCc2ccc(F)cc2F)ccc1C(C)OC(N)=O.
What is the InChIKey of 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate?
The InChIKey is IHALNMSJDJUFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-10(24-17(20)22)14-6-5-13(8-16(14)23-2)21-9-11-3-4-12(18)7-15(11)19/h3-8,10,21H,9H2,1-2H3,(H2,20,22).
What are the key properties of 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate?
1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate has a molecular weight of 336.34 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-difluorophenyl)methylamino]-2-methoxyphenyl]ethyl carbamate is sourced from PubChem (CID 174481357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).