N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

C21H20FN3O3 — CID 8922799

IUPACN-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H20FN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyRVNVNYPXPSSCBZ-AWEZNQCLSA-N
MW381.41 g/mol
LogP3.96
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide

N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (PubChem CID 8922799) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
PubChem CID8922799
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
SMILESC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccco1
InChIInChI=1S/C21H20FN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1
InChIKeyRVNVNYPXPSSCBZ-AWEZNQCLSA-N
XLogP3.96
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8922758
N-(4-ethoxyphenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide
CID 8920331
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
N-(2,5-difluorophenyl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919204
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 8918107
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8918343
N-(3-fluoro-4-methylphenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8919228
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377
N-(4-fluorophenyl)-2-[[2-(furan-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 78812700
N-[4-[(2S)-butan-2-yl]phenyl]-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917865
N-(2,3-dichlorophenyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918436

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide (CID 8922799) is N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccco1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
The InChIKey is RVNVNYPXPSSCBZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14(19-7-4-12-28-19)23-13-20(26)25-18-6-3-2-5-17(18)21(27)24-16-10-8-15(22)9-11-16/h2-12,14,23H,13H2,1H3,(H,24,27)(H,25,26)/t14-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide has a molecular weight of 381.41 g/mol, XLogP of 3.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]amino]benzamide is sourced from PubChem (CID 8922799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).