N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide

C16H13Cl2F2N3O2 — CID 24852482

IUPACN-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
SMILESO=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2N3O2/c17-9-5-11(18)15(21-6-9)22-14-10(3-4-12(19)13(14)20)16(24)23-25-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22)(H,23,24)
InChIKeyBQODNTWDPVHKFQ-UHFFFAOYSA-N
MW388.20 g/mol
LogP4.48
Rot. Bonds6

About N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide

N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide (PubChem CID 24852482) has the molecular formula C16H13Cl2F2N3O2 and a molecular weight of 388.20 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
PubChem CID24852482
Molecular FormulaC16H13Cl2F2N3O2
Molecular Weight388.20 g/mol
Exact Mass387.04
IUPAC NameN-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
SMILESO=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F2N3O2/c17-9-5-11(18)15(21-6-9)22-14-10(3-4-12(19)13(14)20)16(24)23-25-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22)(H,23,24)
InChIKeyBQODNTWDPVHKFQ-UHFFFAOYSA-N
XLogP4.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
CID 24852478
N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
CID 89278624
N-(cyclopropylmethoxy)-7-(2,4-dichloroanilino)-8-fluoroimidazo[1,2-a]pyridine-6-carboxamide
CID 89353136
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
2-(4-chloro-2-fluoroanilino)-3,4-difluoro-N-[[2-(hydroxymethyl)cyclopropyl]methoxy]benzamide
CID 22271572
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
CID 44603204
2-(2-chloro-4-iodoanilino)-3,4-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 10228574
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-(2-hydroxyethoxy)benzamide
CID 89277357
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
2-[(3-bromo-5-cyano-2-pyridinyl)amino]-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 24852594
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4,5-trifluorobenzoyl]amino]oxyacetic acid
CID 89277182

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide?
The IUPAC name of N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide (CID 24852482) is N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide?
The canonical SMILES for N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide is O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide?
The InChIKey is BQODNTWDPVHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N3O2/c17-9-5-11(18)15(21-6-9)22-14-10(3-4-12(19)13(14)20)16(24)23-25-7-8-1-2-8/h3-6,8H,1-2,7H2,(H,21,22)(H,23,24).
What are the key properties of N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide?
N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide has a molecular weight of 388.20 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide is sourced from PubChem (CID 24852482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).