(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C18H15ClN2O2 — CID 31779050

IUPAC(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-15-8-3-4-9-16(15)18(23)21(11)12(2)17(22)20-14-7-5-6-13(19)10-14/h3-10,12H,1H2,2H3,(H,20,22)/t12-/m1/s1
InChIKeyHFDAFPIQFMENEA-GFCCVEGCSA-N
MW326.78 g/mol
LogP3.79
Rot. Bonds3

About (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide

(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 31779050) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID31779050
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c1-11-15-8-3-4-9-16(15)18(23)21(11)12(2)17(22)20-14-7-5-6-13(19)10-14/h3-10,12H,1H2,2H3,(H,20,22)/t12-/m1/s1
InChIKeyHFDAFPIQFMENEA-GFCCVEGCSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 24666659
(2S)-N-(3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 1112281
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 52534515
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166205999
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
CID 34031140
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 38468072
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 31779050) is (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is HFDAFPIQFMENEA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-15-8-3-4-9-16(15)18(23)21(11)12(2)17(22)20-14-7-5-6-13(19)10-14/h3-10,12H,1H2,2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 326.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 31779050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).