(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide

C13H17ClN2O3 — CID 40803195

IUPAC(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide
SMILESCOc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C13H17ClN2O3/c1-9(14)13(18)15-8-7-12(17)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyNWYJPIAECPIWGI-SECBINFHSA-N
MW284.74 g/mol
LogP1.77
Rot. Bonds6

About (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide

(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide (PubChem CID 40803195) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide
PubChem CID40803195
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide
SMILESCOc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl
InChIInChI=1S/C13H17ClN2O3/c1-9(14)13(18)15-8-7-12(17)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyNWYJPIAECPIWGI-SECBINFHSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-(4-chloro-2,5-dimethoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 109039398
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide?
The IUPAC name of (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide (CID 40803195) is (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide.
What is the SMILES notation for (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide?
The canonical SMILES for (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide is COc1ccccc1NC(=O)CCNC(=O)[C@@H](C)Cl.
What is the InChIKey of (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide?
The InChIKey is NWYJPIAECPIWGI-SECBINFHSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-9(14)13(18)15-8-7-12(17)16-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide?
(2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide has a molecular weight of 284.74 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]propanamide is sourced from PubChem (CID 40803195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).