[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate

C21H18F2N2O2 — CID 70128800

IUPAC[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
SMILESNCc1cccc(-c2ccccc2)c1OC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-17-10-9-16(19(23)11-17)13-25-21(26)27-20-15(12-24)7-4-8-18(20)14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,25,26)
InChIKeyHDYBMHOYKMPTSL-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.38
Rot. Bonds5

About [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate

[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate (PubChem CID 70128800) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
PubChem CID70128800
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
SMILESNCc1cccc(-c2ccccc2)c1OC(=O)NCc1ccc(F)cc1F
InChIInChI=1S/C21H18F2N2O2/c22-17-10-9-16(19(23)11-17)13-25-21(26)27-20-15(12-24)7-4-8-18(20)14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,25,26)
InChIKeyHDYBMHOYKMPTSL-UHFFFAOYSA-N
XLogP4.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978589
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
(4-fluorophenyl)methyl N-[[2-[2-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978511
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
2-(2,4-difluorophenyl)-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339826
3-amino-N-[(2,4-difluorophenyl)methyl]-2-methylpropanamide
CID 62229790
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898
N-[(2,4-difluorophenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121084055
[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 46860456
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
tert-butyl N-[[2-[5-[(2,4-difluorophenyl)methylcarbamoyl]-3-pyridinyl]phenyl]methyl]carbamate
CID 10182580
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate?
The IUPAC name of [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate (CID 70128800) is [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate?
The canonical SMILES for [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate is NCc1cccc(-c2ccccc2)c1OC(=O)NCc1ccc(F)cc1F.
What is the InChIKey of [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate?
The InChIKey is HDYBMHOYKMPTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c22-17-10-9-16(19(23)11-17)13-25-21(26)27-20-15(12-24)7-4-8-18(20)14-5-2-1-3-6-14/h1-11H,12-13,24H2,(H,25,26).
What are the key properties of [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate?
[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate has a molecular weight of 368.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 70128800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).