N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide

C20H24F2N2O2 — CID 18167097

IUPACN-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C20H24F2N2O2/c1-3-24(4-2)18(15-9-6-5-7-10-15)14-23-19(25)16-11-8-12-17(13-16)26-20(21)22/h5-13,18,20H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyCTFAQSMFSYRBQK-UHFFFAOYSA-N
MW362.42 g/mol
LogP4.10
Rot. Bonds9

About N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide

N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide (PubChem CID 18167097) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
PubChem CID18167097
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C20H24F2N2O2/c1-3-24(4-2)18(15-9-6-5-7-10-15)14-23-19(25)16-11-8-12-17(13-16)26-20(21)22/h5-13,18,20H,3-4,14H2,1-2H3,(H,23,25)
InChIKeyCTFAQSMFSYRBQK-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-phenylethyl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 24649811
N-[2-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 43019801
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
N-[2-(diethylamino)-2-phenylethyl]-3-(ethylsulfonylamino)benzamide
CID 24671977
3-(difluoromethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652569
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
3-(difluoromethoxy)-N-(2,3-dihydroxypropyl)benzamide
CID 66175780

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide (CID 18167097) is N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide is CCN(CC)C(CNC(=O)c1cccc(OC(F)F)c1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide?
The InChIKey is CTFAQSMFSYRBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-3-24(4-2)18(15-9-6-5-7-10-15)14-23-19(25)16-11-8-12-17(13-16)26-20(21)22/h5-13,18,20H,3-4,14H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide has a molecular weight of 362.42 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 18167097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).