N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide

C19H16F4N2O2 — CID 155513092

IUPACN,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide
SMILESC=C(CC(=O)NCc1cc(F)ccc1F)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H16F4N2O2/c1-11(19(27)25-10-13-8-15(21)3-5-17(13)23)6-18(26)24-9-12-7-14(20)2-4-16(12)22/h2-5,7-8H,1,6,9-10H2,(H,24,26)(H,25,27)
InChIKeyWVYPZUNFKHYOLA-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.12
Rot. Bonds7

About N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide

N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide (PubChem CID 155513092) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide.

Molecular Properties

Compound NameN,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide
PubChem CID155513092
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC NameN,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide
SMILESC=C(CC(=O)NCc1cc(F)ccc1F)C(=O)NCc1cc(F)ccc1F
InChIInChI=1S/C19H16F4N2O2/c1-11(19(27)25-10-13-8-15(21)3-5-17(13)23)6-18(26)24-9-12-7-14(20)2-4-16(12)22/h2-5,7-8H,1,6,9-10H2,(H,24,26)(H,25,27)
InChIKeyWVYPZUNFKHYOLA-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
2-[4-(aminomethyl)phenyl]-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793376
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
1-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63377776
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
4-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63792431

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide?
The IUPAC name of N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide (CID 155513092) is N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide.
What is the SMILES notation for N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide?
The canonical SMILES for N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide is C=C(CC(=O)NCc1cc(F)ccc1F)C(=O)NCc1cc(F)ccc1F.
What is the InChIKey of N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide?
The InChIKey is WVYPZUNFKHYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-11(19(27)25-10-13-8-15(21)3-5-17(13)23)6-18(26)24-9-12-7-14(20)2-4-16(12)22/h2-5,7-8H,1,6,9-10H2,(H,24,26)(H,25,27).
What are the key properties of N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide?
N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide has a molecular weight of 380.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide is sourced from PubChem (CID 155513092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).