N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide

C21H19F2N3O4 — CID 8830525

IUPACN'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C21H19F2N3O4/c22-21(23)30-16-10-8-15(9-11-16)19(14-5-2-1-3-6-14)24-13-18(27)25-26-20(28)17-7-4-12-29-17/h1-12,19,21,24H,13H2,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyFZXTYKUVWZSKRP-LJQANCHMSA-N
MW415.40 g/mol
LogP3.02
Rot. Bonds8

About N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide

N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide (PubChem CID 8830525) has the molecular formula C21H19F2N3O4 and a molecular weight of 415.40 g/mol. Its IUPAC name is N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
PubChem CID8830525
Molecular FormulaC21H19F2N3O4
Molecular Weight415.40 g/mol
Exact Mass415.13
IUPAC NameN'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
SMILESO=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)NNC(=O)c1ccco1
InChIInChI=1S/C21H19F2N3O4/c22-21(23)30-16-10-8-15(9-11-16)19(14-5-2-1-3-6-14)24-13-18(27)25-26-20(28)17-7-4-12-29-17/h1-12,19,21,24H,13H2,(H,25,27)(H,26,28)/t19-/m1/s1
InChIKeyFZXTYKUVWZSKRP-LJQANCHMSA-N
XLogP3.02
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
CID 8829914
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 40894967
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597044
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 33072186
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide (CID 8830525) is N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide is O=C(CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)NNC(=O)c1ccco1.
What is the InChIKey of N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide?
The InChIKey is FZXTYKUVWZSKRP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19F2N3O4/c22-21(23)30-16-10-8-15(9-11-16)19(14-5-2-1-3-6-14)24-13-18(27)25-26-20(28)17-7-4-12-29-17/h1-12,19,21,24H,13H2,(H,25,27)(H,26,28)/t19-/m1/s1.
What are the key properties of N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide?
N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide has a molecular weight of 415.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 8830525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).