2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

C20H18F2N4O2 — CID 55601134

IUPAC2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H18F2N4O2/c21-16-4-5-17(18(22)9-16)20(28)25-11-19(27)24-10-14-2-1-3-15(8-14)12-26-7-6-23-13-26/h1-9,13H,10-12H2,(H,24,27)(H,25,28)
InChIKeyHMJZWCNIPHWXKX-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.26
Rot. Bonds7

About 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (PubChem CID 55601134) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
PubChem CID55601134
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)NCc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C20H18F2N4O2/c21-16-4-5-17(18(22)9-16)20(28)25-11-19(27)24-10-14-2-1-3-15(8-14)12-26-7-6-23-13-26/h1-9,13H,10-12H2,(H,24,27)(H,25,28)
InChIKeyHMJZWCNIPHWXKX-UHFFFAOYSA-N
XLogP2.26
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
2,4-difluoro-N-[2-oxo-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 47058348
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
trans-(1S,2S)-2-(4-fluorophenyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 94144410
1-(4-fluoro-2-methoxyphenyl)-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 86988568
2-(2,4-difluorophenoxy)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31987382
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
2,4-difluoro-N-[2-oxo-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]ethyl]benzamide
CID 36758403
6-bromo-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 75395653
2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51115726
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide (CID 55601134) is 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)NCc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is HMJZWCNIPHWXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-16-4-5-17(18(22)9-16)20(28)25-11-19(27)24-10-14-2-1-3-15(8-14)12-26-7-6-23-13-26/h1-9,13H,10-12H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[[3-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55601134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).