N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C19H20F2N2O2 — CID 60560740

IUPACN-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-2-1-8-16(17)22-18(24)15-7-5-6-14(12-15)13-23-10-3-4-11-23/h1-2,5-9,12,19H,3-4,10-11,13H2,(H,22,24)
InChIKeyYCBPRKZKYAZWHK-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 60560740) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID60560740
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-2-1-8-16(17)22-18(24)15-7-5-6-14(12-15)13-23-10-3-4-11-23/h1-2,5-9,12,19H,3-4,10-11,13H2,(H,22,24)
InChIKeyYCBPRKZKYAZWHK-UHFFFAOYSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-1-ylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 60560548
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
N-propan-2-yl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 60560652
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
N-[2-(difluoromethoxy)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27827122
N-[2-(difluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 953096
N-(2-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43920263
N-(2-aminoethyl)-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 120603890
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 60560740) is N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is O=C(Nc1ccccc1OC(F)F)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is YCBPRKZKYAZWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-19(21)25-17-9-2-1-8-16(17)22-18(24)15-7-5-6-14(12-15)13-23-10-3-4-11-23/h1-2,5-9,12,19H,3-4,10-11,13H2,(H,22,24).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 60560740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).