N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide

C11H12ClF2N3O2 — CID 82772683

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
SMILESCC(CNC(=O)c1cc(F)c(Cl)cc1F)/C(N)=N/O
InChIInChI=1S/C11H12ClF2N3O2/c1-5(10(15)17-19)4-16-11(18)6-2-9(14)7(12)3-8(6)13/h2-3,5,19H,4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCAPNOLXVDRACLZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.73
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide (PubChem CID 82772683) has the molecular formula C11H12ClF2N3O2 and a molecular weight of 291.69 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
PubChem CID82772683
Molecular FormulaC11H12ClF2N3O2
Molecular Weight291.69 g/mol
Exact Mass291.06
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
SMILESCC(CNC(=O)c1cc(F)c(Cl)cc1F)/C(N)=N/O
InChIInChI=1S/C11H12ClF2N3O2/c1-5(10(15)17-19)4-16-11(18)6-2-9(14)7(12)3-8(6)13/h2-3,5,19H,4H2,1H3,(H2,15,17)(H,16,18)
InChIKeyCAPNOLXVDRACLZ-UHFFFAOYSA-N
XLogP1.73
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-fluoro-4-hydroxybenzamide
CID 107677312
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-chlorothiophene-2-carboxamide
CID 80642272
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-bromo-6-fluorobenzamide
CID 114560779
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide (CID 82772683) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide is CC(CNC(=O)c1cc(F)c(Cl)cc1F)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide?
The InChIKey is CAPNOLXVDRACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N3O2/c1-5(10(15)17-19)4-16-11(18)6-2-9(14)7(12)3-8(6)13/h2-3,5,19H,4H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide has a molecular weight of 291.69 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82772683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).