5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide

C12H16ClNO3 — CID 670791

IUPAC5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-8(7-16-2)14-12(15)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyPOAAOPUNNWCGGG-QMMMGPOBSA-N
MW257.72 g/mol
LogP2.11
Rot. Bonds5

About 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide

5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide (PubChem CID 670791) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
PubChem CID670791
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H16ClNO3/c1-8(7-16-2)14-12(15)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1
InChIKeyPOAAOPUNNWCGGG-QMMMGPOBSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-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-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
N-(1-bromopropan-2-yl)-5-chloro-2-methoxybenzamide
CID 114310666
5-chloro-2-methoxy-N-[(2R)-6-methylheptan-2-yl]benzamide
CID 2287612
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]-5-nitrobenzamide
CID 30481637
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-(1-hydroxybutan-2-yl)-2-methoxybenzamide
CID 43390352
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
4-chloro-2-fluoro-N-[1-(2-methoxyphenoxy)propan-2-yl]benzamide
CID 133160972
2-amino-5-chloro-N-(4-methoxybutan-2-yl)benzamide
CID 64602381
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-(2-hydroxy-1-phenylethyl)-2-methoxybenzamide
CID 63184777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide (CID 670791) is 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide is COC[C@H](C)NC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
The InChIKey is POAAOPUNNWCGGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(7-16-2)14-12(15)10-6-9(13)4-5-11(10)17-3/h4-6,8H,7H2,1-3H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide?
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide has a molecular weight of 257.72 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide is sourced from PubChem (CID 670791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).