4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide

C21H17Cl2N3O3 — CID 163362745

IUPAC4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
SMILESCC(Oc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(20(27)25-17-6-4-15(22)5-7-17)29-18-8-2-14(3-9-18)21(28)26-19-12-16(23)10-11-24-19/h2-13H,1H3,(H,25,27)(H,24,26,28)
InChIKeyVMRFXRGWMFEDLQ-UHFFFAOYSA-N
MW430.29 g/mol
LogP5.05
Rot. Bonds6

About 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide

4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide (PubChem CID 163362745) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
PubChem CID163362745
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC Name4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
SMILESCC(Oc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(20(27)25-17-6-4-15(22)5-7-17)29-18-8-2-14(3-9-18)21(28)26-19-12-16(23)10-11-24-19/h2-13H,1H3,(H,25,27)(H,24,26,28)
InChIKeyVMRFXRGWMFEDLQ-UHFFFAOYSA-N
XLogP5.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.29
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-pyridinyl)-4-(difluoromethoxy)benzamide
CID 115627281
N-[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187935
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-N-methylsulfonylbenzamide
CID 177371105
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
N-(4-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 115626710
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide?
The IUPAC name of 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide (CID 163362745) is 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide is CC(Oc1ccc(C(=O)Nc2cc(Cl)ccn2)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide?
The InChIKey is VMRFXRGWMFEDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-13(20(27)25-17-6-4-15(22)5-7-17)29-18-8-2-14(3-9-18)21(28)26-19-12-16(23)10-11-24-19/h2-13H,1H3,(H,25,27)(H,24,26,28).
What are the key properties of 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide?
4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide has a molecular weight of 430.29 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 163362745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).