N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide

C14H16F2N2O3 — CID 24667103

IUPACN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)NCC1CC1
InChIInChI=1S/C14H16F2N2O3/c15-14(16)21-11-3-1-2-10(6-11)13(20)18-8-12(19)17-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2,(H,17,19)(H,18,20)
InChIKeyWQFJVMYUJITVFA-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.54
Rot. Bonds7

About N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide

N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide (PubChem CID 24667103) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
PubChem CID24667103
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
SMILESO=C(CNC(=O)c1cccc(OC(F)F)c1)NCC1CC1
InChIInChI=1S/C14H16F2N2O3/c15-14(16)21-11-3-1-2-10(6-11)13(20)18-8-12(19)17-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2,(H,17,19)(H,18,20)
InChIKeyWQFJVMYUJITVFA-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethoxy)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 51160991
N-[2-(cyclopropylmethylamino)-2-oxoethyl]benzamide
CID 25469630
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26072093
N-[(2-bromocyclopentyl)methyl]-3-(difluoromethoxy)benzamide
CID 114313814
N-[3-(cyclopropylamino)propyl]-3-(difluoromethoxy)benzamide
CID 43596336
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]benzamide
CID 134801187
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)benzamide
CID 60653229
3-(difluoromethoxy)-N-[2-oxo-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)ethyl]benzamide
CID 47019780
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 43050302
3-(difluoromethoxy)-N-(1,4-dithian-2-ylmethyl)benzamide
CID 122150276
3-(difluoromethoxy)-N-[[(2S)-1,4-dithian-2-yl]methyl]benzamide
CID 124609151
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide (CID 24667103) is N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide is O=C(CNC(=O)c1cccc(OC(F)F)c1)NCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide?
The InChIKey is WQFJVMYUJITVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-14(16)21-11-3-1-2-10(6-11)13(20)18-8-12(19)17-7-9-4-5-9/h1-3,6,9,14H,4-5,7-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide?
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide has a molecular weight of 298.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 24667103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).