3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide

C20H23ClN2O3 — CID 120609593

IUPAC3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C20H23ClN2O3/c21-15-8-9-19(26-13-16-5-3-11-25-16)18(12-15)23-20(24)10-7-14-4-1-2-6-17(14)22/h1-2,4,6,8-9,12,16H,3,5,7,10-11,13,22H2,(H,23,24)
InChIKeyTVKKLTRQCSDWKU-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.05
Rot. Bonds7

About 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide

3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 120609593) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID120609593
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESNc1ccccc1CCC(=O)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C20H23ClN2O3/c21-15-8-9-19(26-13-16-5-3-11-25-16)18(12-15)23-20(24)10-7-14-4-1-2-6-17(14)22/h1-2,4,6,8-9,12,16H,3,5,7,10-11,13,22H2,(H,23,24)
InChIKeyTVKKLTRQCSDWKU-UHFFFAOYSA-N
XLogP4.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
4-(2,4-dichlorophenoxy)-N-[2-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17170185
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
N-[5-fluoro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(furan-2-yl)propanamide
CID 95341792
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
CID 102561239
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 60576345
N-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]quinoxaline-2-carboxamide
CID 94645848

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 120609593) is 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide is Nc1ccccc1CCC(=O)Nc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is TVKKLTRQCSDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c21-15-8-9-19(26-13-16-5-3-11-25-16)18(12-15)23-20(24)10-7-14-4-1-2-6-17(14)22/h1-2,4,6,8-9,12,16H,3,5,7,10-11,13,22H2,(H,23,24).
What are the key properties of 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide?
3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 374.87 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 120609593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).