N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide

C12H14ClNO3 — CID 175055653

IUPACN-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-3-12(15)14-9-4-5-11(10(13)8-9)17-7-6-16-2/h3-5,8H,1,6-7H2,2H3,(H,14,15)
InChIKeyBJAXOUJOBKKVIF-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.49
Rot. Bonds6

About N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide

N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide (PubChem CID 175055653) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
PubChem CID175055653
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC NameN-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCCOC)c(Cl)c1
InChIInChI=1S/C12H14ClNO3/c1-3-12(15)14-9-4-5-11(10(13)8-9)17-7-6-16-2/h3-5,8H,1,6-7H2,2H3,(H,14,15)
InChIKeyBJAXOUJOBKKVIF-UHFFFAOYSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(2-methoxyethoxy)phenyl]-3-propylurea
CID 47349978
4-[3-chloro-4-(2-methoxyethoxy)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133689
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-methylcyclopentane-1-carboxamide
CID 95161970
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-methyl-1H-imidazole-4-carboxamide
CID 127267538
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100702581
N-[4-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421351
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-cyclopropyl-2-methoxypropanamide
CID 100709951
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide (CID 175055653) is N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OCCOC)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is BJAXOUJOBKKVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-3-12(15)14-9-4-5-11(10(13)8-9)17-7-6-16-2/h3-5,8H,1,6-7H2,2H3,(H,14,15).
What are the key properties of N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide?
N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 255.70 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 175055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).