N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide

C21H20ClNO4 — CID 10045654

IUPACN-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide
SMILESCCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C21H20ClNO4/c1-2-12-26-21-19(22)16-10-9-15(13-17(16)20(25)27-21)23-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,23,24)
InChIKeySWNXQSSLFHEFKT-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.81
Rot. Bonds7

About N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide

N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide (PubChem CID 10045654) has the molecular formula C21H20ClNO4 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide
PubChem CID10045654
Molecular FormulaC21H20ClNO4
Molecular Weight385.85 g/mol
Exact Mass385.11
IUPAC NameN-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide
SMILESCCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl
InChIInChI=1S/C21H20ClNO4/c1-2-12-26-21-19(22)16-10-9-15(13-17(16)20(25)27-21)23-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,23,24)
InChIKeySWNXQSSLFHEFKT-UHFFFAOYSA-N
XLogP4.81
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902
3-(7-acetamido-4-chloro-1-oxoisochromen-3-yl)oxypropyl carbamimidothioate
CID 10384490
N-[3-chloro-4-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide
CID 1234574
N-(3-chloro-4-hydroxyphenyl)-3-phenylpropanamide
CID 63936302
N-[3-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54830686
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
N-(3-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 668304
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
propyl 4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzoate
CID 54812904
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide?
The IUPAC name of N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide (CID 10045654) is N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide is CCCOc1oc(=O)c2cc(NC(=O)CCc3ccccc3)ccc2c1Cl.
What is the InChIKey of N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide?
The InChIKey is SWNXQSSLFHEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO4/c1-2-12-26-21-19(22)16-10-9-15(13-17(16)20(25)27-21)23-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,13H,2,8,11-12H2,1H3,(H,23,24).
What are the key properties of N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide?
N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide has a molecular weight of 385.85 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)-3-phenylpropanamide is sourced from PubChem (CID 10045654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).