(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

C17H15Cl2N3O2 — CID 25348758

IUPAC(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C17H15Cl2N3O2/c1-9(17(23)22-14-5-3-11(18)7-13(14)19)20-12-4-6-16-15(8-12)21-10(2)24-16/h3-9,20H,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeyQGIYEMYHMAXOJQ-VIFPVBQESA-N
MW364.23 g/mol
LogP4.88
Rot. Bonds4

About (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 25348758) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID25348758
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1
InChIInChI=1S/C17H15Cl2N3O2/c1-9(17(23)22-14-5-3-11(18)7-13(14)19)20-12-4-6-16-15(8-12)21-10(2)24-16/h3-9,20H,1-2H3,(H,22,23)/t9-/m0/s1
InChIKeyQGIYEMYHMAXOJQ-VIFPVBQESA-N
XLogP4.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25344260
N-(2,4-dichlorophenyl)-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110388057
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474150
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 40919410
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 17488732
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542560

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (CID 25348758) is (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is Cc1nc2cc(N[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)ccc2o1.
What is the InChIKey of (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is QGIYEMYHMAXOJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-9(17(23)22-14-5-3-11(18)7-13(14)19)20-12-4-6-16-15(8-12)21-10(2)24-16/h3-9,20H,1-2H3,(H,22,23)/t9-/m0/s1.
What are the key properties of (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 364.23 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 25348758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).