3-(4-chloro-3-formylphenyl)propanamide

C10H10ClNO2 — CID 90949982

IUPAC3-(4-chloro-3-formylphenyl)propanamide
SMILESNC(=O)CCc1ccc(Cl)c(C=O)c1
InChIInChI=1S/C10H10ClNO2/c11-9-3-1-7(2-4-10(12)14)5-8(9)6-13/h1,3,5-6H,2,4H2,(H2,12,14)
InChIKeyQKFVBFKDIZGKMX-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.57
Rot. Bonds4

About 3-(4-chloro-3-formylphenyl)propanamide

3-(4-chloro-3-formylphenyl)propanamide (PubChem CID 90949982) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 3-(4-chloro-3-formylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-formylphenyl)propanamide
PubChem CID90949982
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name3-(4-chloro-3-formylphenyl)propanamide
SMILESNC(=O)CCc1ccc(Cl)c(C=O)c1
InChIInChI=1S/C10H10ClNO2/c11-9-3-1-7(2-4-10(12)14)5-8(9)6-13/h1,3,5-6H,2,4H2,(H2,12,14)
InChIKeyQKFVBFKDIZGKMX-UHFFFAOYSA-N
XLogP1.57
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-chlorophenyl)propanamide
CID 83796770
3-(4-amino-3-chlorophenyl)propanamide;hydrochloride
CID 90202691
4-(3,4-dichlorophenyl)butanamide
CID 47319689
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
3-(4-formylphenyl)propanamide
CID 66485595
(4-chloro-3-formylphenyl)methyl nitrate
CID 173163877
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291
N-(4-amino-4-oxobutyl)-4-(3,4-dichlorophenyl)butanamide
CID 47286286
3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 70371168
3-quinolin-7-ylpropanamide
CID 82578510
ethane;3-(4-methylphenyl)propanamide
CID 142510251
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-formylphenyl)propanamide?
The IUPAC name of 3-(4-chloro-3-formylphenyl)propanamide (CID 90949982) is 3-(4-chloro-3-formylphenyl)propanamide.
What is the SMILES notation for 3-(4-chloro-3-formylphenyl)propanamide?
The canonical SMILES for 3-(4-chloro-3-formylphenyl)propanamide is NC(=O)CCc1ccc(Cl)c(C=O)c1.
What is the InChIKey of 3-(4-chloro-3-formylphenyl)propanamide?
The InChIKey is QKFVBFKDIZGKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9-3-1-7(2-4-10(12)14)5-8(9)6-13/h1,3,5-6H,2,4H2,(H2,12,14).
What are the key properties of 3-(4-chloro-3-formylphenyl)propanamide?
3-(4-chloro-3-formylphenyl)propanamide has a molecular weight of 211.65 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-formylphenyl)propanamide is sourced from PubChem (CID 90949982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).