N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide

C21H17Cl2N3O3 — CID 156704863

IUPACN-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(20(27)26-17-7-10-19(23)24-12-17)29-18-8-5-14(6-9-18)21(28)25-16-4-2-3-15(22)11-16/h2-13H,1H3,(H,25,28)(H,26,27)/t13-/m0/s1
InChIKeyRHBBVTIBFOCXLE-ZDUSSCGKSA-N
MW430.29 g/mol
LogP5.05
Rot. Bonds6

About N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide

N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide (PubChem CID 156704863) has the molecular formula C21H17Cl2N3O3 and a molecular weight of 430.29 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
PubChem CID156704863
Molecular FormulaC21H17Cl2N3O3
Molecular Weight430.29 g/mol
Exact Mass429.06
IUPAC NameN-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@H](Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)nc1
InChIInChI=1S/C21H17Cl2N3O3/c1-13(20(27)26-17-7-10-19(23)24-12-17)29-18-8-5-14(6-9-18)21(28)25-16-4-2-3-15(22)11-16/h2-13H,1H3,(H,25,28)(H,26,27)/t13-/m0/s1
InChIKeyRHBBVTIBFOCXLE-ZDUSSCGKSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 9252923
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
methyl 4-[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 7965118
methyl 4-[1-(3-chloroanilino)-1-oxopropan-2-yl]oxybenzoate
CID 78583530
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
4-chloro-N-[4-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645145
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-chlorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893717
4-[1-(4-chloroanilino)-1-oxopropan-2-yl]oxy-N-(4-chloro-2-pyridinyl)benzamide
CID 163362745
4-chloro-N-[3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 19645135
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide (CID 156704863) is N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide is C[C@H](Oc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)nc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is RHBBVTIBFOCXLE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H17Cl2N3O3/c1-13(20(27)26-17-7-10-19(23)24-12-17)29-18-8-5-14(6-9-18)21(28)25-16-4-2-3-15(22)11-16/h2-13H,1H3,(H,25,28)(H,26,27)/t13-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide?
N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide 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 N-(3-chlorophenyl)-4-[(2S)-1-[(6-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 156704863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).