N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide

C19H23ClN2O2 — CID 109011723

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)21-12-11-19(23)22-17-7-9-18(10-8-17)24-13-15-3-5-16(20)6-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyNYXYARVKHGKOCN-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.25
Rot. Bonds8

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide (PubChem CID 109011723) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
PubChem CID109011723
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2/c1-14(2)21-12-11-19(23)22-17-7-9-18(10-8-17)24-13-15-3-5-16(20)6-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23)
InChIKeyNYXYARVKHGKOCN-UHFFFAOYSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
4-(5-chloro-2-methoxyphenyl)-N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxobutanamide
CID 108797023
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
CID 108941522
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
4-(4-chlorophenyl)-4-oxo-N-(4-phenylmethoxyphenyl)butanamide
CID 2400388
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
N-[4-[(4-chlorophenyl)methoxy]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795675
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide (CID 109011723) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is NYXYARVKHGKOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(2)21-12-11-19(23)22-17-7-9-18(10-8-17)24-13-15-3-5-16(20)6-4-15/h3-10,14,21H,11-13H2,1-2H3,(H,22,23).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 346.86 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 109011723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).