3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide

C14H18ClNO4 — CID 62625897

IUPAC3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1cc(C=O)cc(Cl)c1OCCC(=O)NC(C)C
InChIInChI=1S/C14H18ClNO4/c1-9(2)16-13(18)4-5-20-14-11(15)6-10(8-17)7-12(14)19-3/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeySESWBVZPEYRFRM-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.45
Rot. Bonds7

About 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide

3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide (PubChem CID 62625897) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
PubChem CID62625897
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1cc(C=O)cc(Cl)c1OCCC(=O)NC(C)C
InChIInChI=1S/C14H18ClNO4/c1-9(2)16-13(18)4-5-20-14-11(15)6-10(8-17)7-12(14)19-3/h6-9H,4-5H2,1-3H3,(H,16,18)
InChIKeySESWBVZPEYRFRM-UHFFFAOYSA-N
XLogP2.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-methylpropanamide
CID 62326853
3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579
3-chloro-4-(2-hydroxypropoxy)-5-methoxybenzaldehyde
CID 60887072
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110
2-(2-chloro-4-formyl-6-methoxyphenoxy)acetic acid
CID 957945
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 43589731
3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
methyl (2R)-2-(2-chloro-4-formyl-6-methoxyphenoxy)propanoate
CID 42573597
N-cyclopropyl-3-(4-formyl-2,6-dimethoxyphenoxy)propanamide
CID 62627393
3-chloro-4-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922279

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide (CID 62625897) is 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide is COc1cc(C=O)cc(Cl)c1OCCC(=O)NC(C)C.
What is the InChIKey of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is SESWBVZPEYRFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-9(2)16-13(18)4-5-20-14-11(15)6-10(8-17)7-12(14)19-3/h6-9H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide?
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 299.75 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62625897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).