[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate

C25H28FN3O3 — CID 71261390

IUPAC[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NC)cc3F)ccc2c1
InChIInChI=1S/C25H28FN3O3/c1-4-29(5-2)15-17-6-8-20-13-18(7-9-19(20)12-17)16-32-25(31)28-23-11-10-21(14-22(23)26)24(30)27-3/h6-14H,4-5,15-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLKXNFEBLDYUDTC-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.93
Rot. Bonds8

About [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate

[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate (PubChem CID 71261390) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate
PubChem CID71261390
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NC)cc3F)ccc2c1
InChIInChI=1S/C25H28FN3O3/c1-4-29(5-2)15-17-6-8-20-13-18(7-9-19(20)12-17)16-32-25(31)28-23-11-10-21(14-22(23)26)24(30)27-3/h6-14H,4-5,15-16H2,1-3H3,(H,27,30)(H,28,31)
InChIKeyLKXNFEBLDYUDTC-UHFFFAOYSA-N
XLogP4.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-4-(propanoylamino)phenyl]methyl N-methylcarbamate
CID 170257650
N-(2-aminophenyl)-2-methylpropanamide;[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-propan-2-ylcarbamate
CID 162114928
[6-(diethylaminomethyl)naphthalen-2-yl]methyl carbamate;ethane;4-methylbenzoic acid
CID 155685371
ethyl 4,5-difluoro-2-(naphthalen-2-ylmethoxycarbonylamino)benzoate
CID 169223545
2-[2-fluoro-4-(methylcarbamoyl)anilino]acetic acid
CID 86683687
CID 167532226
CID 167532226
[3-fluoro-4-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 44717603
3-(diethylaminomethyl)benzohydrazide
CID 63571195
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
4-[[(E)-but-2-enyl]amino]-3-fluoro-N-methylbenzamide;ethane
CID 178011522
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
N-(2-fluoro-4-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054134

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate?
The IUPAC name of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate (CID 71261390) is [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate?
The canonical SMILES for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate is CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NC)cc3F)ccc2c1.
What is the InChIKey of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate?
The InChIKey is LKXNFEBLDYUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-4-29(5-2)15-17-6-8-20-13-18(7-9-19(20)12-17)16-32-25(31)28-23-11-10-21(14-22(23)26)24(30)27-3/h6-14H,4-5,15-16H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate?
[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate has a molecular weight of 437.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2-fluoro-4-(methylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 71261390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).