2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide

C19H22ClN3O3 — CID 86857583

IUPAC2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(C)C
InChIInChI=1S/C19H22ClN3O3/c1-12(2)18(22-13(3)24)19(25)23-14-7-8-17(16(20)10-14)26-11-15-6-4-5-9-21-15/h4-10,12,18H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRSFPGDVCQFKQNE-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.41
Rot. Bonds7

About 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide

2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide (PubChem CID 86857583) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
PubChem CID86857583
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(C)C
InChIInChI=1S/C19H22ClN3O3/c1-12(2)18(22-13(3)24)19(25)23-14-7-8-17(16(20)10-14)26-11-15-6-4-5-9-21-15/h4-10,12,18H,11H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRSFPGDVCQFKQNE-UHFFFAOYSA-N
XLogP3.41
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
CID 52783528
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
2-[[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-N-methylacetamide
CID 60601007
1-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-(2-phenylethyl)urea
CID 60599188
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470
1-[2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549686
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119867082
1-[2-(4-chlorophenoxy)ethyl]-3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]urea
CID 60600852
3-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 60600941
(Z)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-3-ethoxyprop-2-enamide
CID 15603212
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
4-[(2-acetamido-3-methylbutanoyl)amino]-2-chlorobenzoic acid
CID 61398318

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide (CID 86857583) is 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide is CC(=O)NC(C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1)C(C)C.
What is the InChIKey of 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide?
The InChIKey is RSFPGDVCQFKQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12(2)18(22-13(3)24)19(25)23-14-7-8-17(16(20)10-14)26-11-15-6-4-5-9-21-15/h4-10,12,18H,11H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide?
2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide has a molecular weight of 375.86 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-methylbutanamide is sourced from PubChem (CID 86857583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).