N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide

C20H23ClN2O2 — CID 1227276

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)25-17-8-5-15(6-9-17)20(24)22-16-7-10-19(18(21)13-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyFRKPDVXRFXEZFK-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.98
Rot. Bonds5

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 1227276) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
PubChem CID1227276
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O2/c1-14(2)25-17-8-5-15(6-9-17)20(24)22-16-7-10-19(18(21)13-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyFRKPDVXRFXEZFK-UHFFFAOYSA-N
XLogP4.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide 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

N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-(2-methylpropoxy)benzamide
CID 23908443
N-[[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17116179
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7483299
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-4-methoxybenzamide
CID 17102771
5-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109241366
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 17066104
3-bromo-N-(3-chloro-4-piperidin-1-ylphenyl)-4-methoxybenzamide
CID 3922164
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 21168713

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide (CID 1227276) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is FRKPDVXRFXEZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14(2)25-17-8-5-15(6-9-17)20(24)22-16-7-10-19(18(21)13-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 358.87 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 1227276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).