2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide

C16H25ClN2O2 — CID 99790077

IUPAC2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide
SMILESCO[C@H](C)CNC(=O)c1cc(N[C@H](C)C(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-13-6-7-15(17)14(8-13)16(20)18-9-11(3)21-5/h6-8,10-12,19H,9H2,1-5H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyLUZOTOWJNAHXRT-VXGBXAGGSA-N
MW312.84 g/mol
LogP3.56
Rot. Bonds7

About 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide

2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide (PubChem CID 99790077) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide
PubChem CID99790077
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide
SMILESCO[C@H](C)CNC(=O)c1cc(N[C@H](C)C(C)C)ccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-13-6-7-15(17)14(8-13)16(20)18-9-11(3)21-5/h6-8,10-12,19H,9H2,1-5H3,(H,18,20)/t11-,12-/m1/s1
InChIKeyLUZOTOWJNAHXRT-VXGBXAGGSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]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

2,5-dichloro-N-(2-methoxypropyl)benzamide
CID 101005301
5-chloro-2-iodo-N-(2-methoxypropyl)benzamide
CID 102795252
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
4-hydrazinyl-N-(2-methoxypropyl)-2-methylbenzamide
CID 102700668
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
4-fluoro-2-hydroxy-N-(2-methoxypropyl)benzamide
CID 102737733
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
4-(ethylamino)-N-(2-methoxypropyl)benzamide
CID 102700595
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide (CID 99790077) is 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide is CO[C@H](C)CNC(=O)c1cc(N[C@H](C)C(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide?
The InChIKey is LUZOTOWJNAHXRT-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-10(2)12(4)19-13-6-7-15(17)14(8-13)16(20)18-9-11(3)21-5/h6-8,10-12,19H,9H2,1-5H3,(H,18,20)/t11-,12-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide?
2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide has a molecular weight of 312.84 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-methoxypropyl]-5-[[(2R)-3-methylbutan-2-yl]amino]benzamide is sourced from PubChem (CID 99790077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).