N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide

C18H18F2N2O3 — CID 24644344

IUPACN-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-6-13(7-9-15)12-22-16(23)10-11-21-17(24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,24)(H,22,23)
InChIKeyCOPCRFMTTYFIEP-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.72
Rot. Bonds8

About N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide

N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide (PubChem CID 24644344) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
PubChem CID24644344
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-6-13(7-9-15)12-22-16(23)10-11-21-17(24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,24)(H,22,23)
InChIKeyCOPCRFMTTYFIEP-UHFFFAOYSA-N
XLogP2.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[3-oxo-3-[[3-(phenylmethoxymethyl)phenyl]methylamino]propyl]benzamide
CID 46465050
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]benzamide
CID 103769854
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide (CID 24644344) is N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is COPCRFMTTYFIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-18(20)25-15-8-6-13(7-9-15)12-22-16(23)10-11-21-17(24)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide?
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24644344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).