benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate

C29H24F2N2O3 — CID 10299838

IUPACbenzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)c1)OCc1ccccc1
InChIInChI=1S/C29H24F2N2O3/c30-25-14-13-24(27(31)16-25)18-32-28(34)22-11-6-10-21(15-22)26-12-5-4-9-23(26)17-33-29(35)36-19-20-7-2-1-3-8-20/h1-16H,17-19H2,(H,32,34)(H,33,35)
InChIKeyCDIMBTUHXHHMME-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.99
Rot. Bonds8

About benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate

benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate (PubChem CID 10299838) has the molecular formula C29H24F2N2O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
PubChem CID10299838
Molecular FormulaC29H24F2N2O3
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Namebenzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
SMILESO=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)c1)OCc1ccccc1
InChIInChI=1S/C29H24F2N2O3/c30-25-14-13-24(27(31)16-25)18-32-28(34)22-11-6-10-21(15-22)26-12-5-4-9-23(26)17-33-29(35)36-19-20-7-2-1-3-8-20/h1-16H,17-19H2,(H,32,34)(H,33,35)
InChIKeyCDIMBTUHXHHMME-UHFFFAOYSA-N
XLogP5.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2'-(2-Fluoro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431342
Methyl 4-[(naphthalene-2-carbonylamino)methyl]benzoate
CID 4808058
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
2-[2-[[3-(Trifluoromethyl)phenyl]methylcarbamoyl]phenyl]benzoic acid
CID 1431346
methyl 4-[(Z,4R)-2-fluoro-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)-5-[(4-phenylphenyl)methylamino]pent-2-enyl]benzoate
CID 5459580
[2''-(1-Carbamoyl-3-methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11070755
benzyl N-[[3-methyl-2-[2-methyl-6-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 11826630
2-[(5R,14R)-5-amino-9-fluoro-14-(4-fluorophenyl)-5-methyl-4,16-dioxo-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(20),7,9,11(22),17(21),18-hexaen-19-yl]benzonitrile
CID 44441744
2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluorophenyl)-5-methyl-4,16-dioxo-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]benzonitrile
CID 44441745
2-[(5R,14R)-5-amino-22-fluoro-14-(4-fluorophenyl)-5-methyl-4,16-dioxo-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(20),7,9,11(22),17(21),18-hexaen-19-yl]benzonitrile
CID 44441746
2-[(5R,14R)-5-amino-14-(4-fluorophenyl)-5-methyl-4,16-dioxo-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(20),7,9,11(22),17(21),18-hexaen-19-yl]-6-fluorobenzonitrile
CID 44441747
2-[(5R,14R)-5-amino-10-fluoro-14-(4-fluorophenyl)-5-methyl-4,16-dioxo-3-oxa-15-azatricyclo[15.3.1.17,11]docosa-1(20),7(22),8,10,17(21),18-hexaen-19-yl]-6-fluorobenzonitrile
CID 44441748

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate (CID 10299838) is benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate is O=C(NCc1ccccc1-c1cccc(C(=O)NCc2ccc(F)cc2F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
The InChIKey is CDIMBTUHXHHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N2O3/c30-25-14-13-24(27(31)16-25)18-32-28(34)22-11-6-10-21(15-22)26-12-5-4-9-23(26)17-33-29(35)36-19-20-7-2-1-3-8-20/h1-16H,17-19H2,(H,32,34)(H,33,35).
What are the key properties of benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate?
benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate has a molecular weight of 486.52 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[2-[3-[(2,4-difluorophenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate is sourced from PubChem (CID 10299838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).