4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide

C13H17ClN2O3 — CID 40897930

IUPAC4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-12(17)7-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyBIPXXMXCPALYNP-VIFPVBQESA-N
MW284.74 g/mol
LogP1.22
Rot. Bonds6

About 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 40897930) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID40897930
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-12(17)7-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1
InChIKeyBIPXXMXCPALYNP-VIFPVBQESA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
N-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-4-phenoxybenzamide
CID 17473181
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60684118
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031853
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
4-amino-N-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-oxoethyl]benzamide
CID 106188719

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide (CID 40897930) is 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide is COC[C@H](C)NC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is BIPXXMXCPALYNP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9(8-19-2)16-12(17)7-15-13(18)10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m0/s1.
What are the key properties of 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 284.74 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 40897930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).