(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

C19H20Cl2N2O3 — CID 43049522

IUPAC(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)9-16(23-18(24)14-4-6-15(20)7-5-14)19(25)26-11-13-3-8-17(21)22-10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,23,24)
InChIKeyNQWNGORTVLRBEP-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.28
Rot. Bonds7

About (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate

(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (PubChem CID 43049522) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
PubChem CID43049522
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C19H20Cl2N2O3/c1-12(2)9-16(23-18(24)14-4-6-15(20)7-5-14)19(25)26-11-13-3-8-17(21)22-10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,23,24)
InChIKeyNQWNGORTVLRBEP-UHFFFAOYSA-N
XLogP4.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351613
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
(2-chloro-6-fluorophenyl)methyl (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351617
(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 2128639
3-cyanopropyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 55355112
[(1R)-1-cyanoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648864
[2-(methylcarbamoylamino)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351586
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648812
[2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 4318846
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 46821284
4-chloro-N-[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl]benzamide
CID 51064823
4-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 55575717

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate (CID 43049522) is (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
The InChIKey is NQWNGORTVLRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-12(2)9-16(23-18(24)14-4-6-15(20)7-5-14)19(25)26-11-13-3-8-17(21)22-10-13/h3-8,10,12,16H,9,11H2,1-2H3,(H,23,24).
What are the key properties of (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate?
(6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate has a molecular weight of 395.29 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 43049522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).