2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

C23H22ClN3O3 — CID 94876781

IUPAC2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-15-12-18(9-10-20(15)24)30-16(2)22(28)27-21-8-4-3-7-19(21)23(29)26-14-17-6-5-11-25-13-17/h3-13,16H,14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyIRIFBCIQVZHCBW-MRXNPFEDSA-N
MW423.90 g/mol
LogP4.38
Rot. Bonds7

About 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide

2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 94876781) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID94876781
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1Cl
InChIInChI=1S/C23H22ClN3O3/c1-15-12-18(9-10-20(15)24)30-16(2)22(28)27-21-8-4-3-7-19(21)23(29)26-14-17-6-5-11-25-13-17/h3-13,16H,14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1
InChIKeyIRIFBCIQVZHCBW-MRXNPFEDSA-N
XLogP4.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 40696532
(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
2-[2-(2-methoxyphenoxy)propanoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 6498921
2-[[(2S)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 94595467
2-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 94016159
N-benzyl-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7369012
N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 38009731
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 94876781) is 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1Cl.
What is the InChIKey of 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IRIFBCIQVZHCBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c1-15-12-18(9-10-20(15)24)30-16(2)22(28)27-21-8-4-3-7-19(21)23(29)26-14-17-6-5-11-25-13-17/h3-13,16H,14H2,1-2H3,(H,26,29)(H,27,28)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide?
2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 423.90 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-chloro-3-methylphenoxy)propanoyl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 94876781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).