3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

C20H23F2NO4 — CID 55743462

IUPAC3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1OC(F)F
InChIInChI=1S/C20H23F2NO4/c1-12(2)26-16-7-5-6-14(10-16)13(3)23-19(24)15-8-9-17(25-4)18(11-15)27-20(21)22/h5-13,20H,1-4H3,(H,23,24)
InChIKeySMPVBRQDOHFPNW-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.57
Rot. Bonds8

About 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide

3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 55743462) has the molecular formula C20H23F2NO4 and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID55743462
Molecular FormulaC20H23F2NO4
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1OC(F)F
InChIInChI=1S/C20H23F2NO4/c1-12(2)26-16-7-5-6-14(10-16)13(3)23-19(24)15-8-9-17(25-4)18(11-15)27-20(21)22/h5-13,20H,1-4H3,(H,23,24)
InChIKeySMPVBRQDOHFPNW-UHFFFAOYSA-N
XLogP4.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9220094
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide (CID 55743462) is 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2cccc(OC(C)C)c2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is SMPVBRQDOHFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4/c1-12(2)26-16-7-5-6-14(10-16)13(3)23-19(24)15-8-9-17(25-4)18(11-15)27-20(21)22/h5-13,20H,1-4H3,(H,23,24).
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide?
3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55743462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).