4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide

C14H18F2N2O2 — CID 114793978

IUPAC4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-5-3-10(4-6-12)13(19)18-9-7-11-2-1-8-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyKMPOCBSXNRSPBV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.16
Rot. Bonds6

About 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide

4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793978) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793978
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESO=C(NCCC1CCCN1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)20-12-5-3-10(4-6-12)13(19)18-9-7-11-2-1-8-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19)
InChIKeyKMPOCBSXNRSPBV-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971956
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 118770252
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-5-carboxamide
CID 104971982
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]thiophene-3-carboxamide
CID 104971690
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
4-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 104955156
N-propyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylcarbamoylamino]benzamide
CID 118781403

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793978) is 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide is O=C(NCCC1CCCN1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is KMPOCBSXNRSPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)20-12-5-3-10(4-6-12)13(19)18-9-7-11-2-1-8-17-11/h3-6,11,14,17H,1-2,7-9H2,(H,18,19).
What are the key properties of 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide?
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).