2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

C17H18ClN3O3 — CID 25346113

IUPAC2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccn1
InChIInChI=1S/C17H18ClN3O3/c1-11(21-17(23)13-5-3-4-6-14(13)18)16(22)20-10-12-7-8-19-15(9-12)24-2/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyJMOJHTBJHFOUEJ-LLVKDONJSA-N
MW347.80 g/mol
LogP2.18
Rot. Bonds6

About 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 25346113) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID25346113
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCOc1cc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccn1
InChIInChI=1S/C17H18ClN3O3/c1-11(21-17(23)13-5-3-4-6-14(13)18)16(22)20-10-12-7-8-19-15(9-12)24-2/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1
InChIKeyJMOJHTBJHFOUEJ-LLVKDONJSA-N
XLogP2.18
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
2-chloro-N-[1-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 55381424
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503
1-[(2-methoxy-4-pyridinyl)methyl]-3-(4-phenylbutan-2-yl)urea
CID 42891763
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
2-chloro-N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]benzamide
CID 9269951
1-(3-chloro-2-methylphenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032003
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 18165007

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (CID 25346113) is 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is COc1cc(CNC(=O)[C@@H](C)NC(=O)c2ccccc2Cl)ccn1.
What is the InChIKey of 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is JMOJHTBJHFOUEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-11(21-17(23)13-5-3-4-6-14(13)18)16(22)20-10-12-7-8-19-15(9-12)24-2/h3-9,11H,10H2,1-2H3,(H,20,22)(H,21,23)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 347.80 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 25346113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).