(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide

C11H14ClNO2 — CID 9291152

IUPAC(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Cl
InChIInChI=1S/C11H14ClNO2/c1-8(12)11(14)13-7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyPZVWRBCZGOBMCY-QMMMGPOBSA-N
MW227.69 g/mol
LogP1.94
Rot. Bonds4

About (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide

(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9291152) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9291152
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)Cl
InChIInChI=1S/C11H14ClNO2/c1-8(12)11(14)13-7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyPZVWRBCZGOBMCY-QMMMGPOBSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
(2R,3R)-2-(carbamoylamino)-N-[(2-methoxyphenyl)methyl]-3-methylpentanamide
CID 2713290
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9273864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide (CID 9291152) is (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)Cl.
What is the InChIKey of (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is PZVWRBCZGOBMCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(12)11(14)13-7-9-5-3-4-6-10(9)15-2/h3-6,8H,7H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide?
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 227.69 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9291152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).