3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide

C18H21ClN2O2 — CID 67730836

IUPAC3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
SMILESCC(c1ccc(OCc2cccc(Cl)c2)cc1)C(N)CC(N)=O
InChIInChI=1S/C18H21ClN2O2/c1-12(17(20)10-18(21)22)14-5-7-16(8-6-14)23-11-13-3-2-4-15(19)9-13/h2-9,12,17H,10-11,20H2,1H3,(H2,21,22)
InChIKeyAEFVDBJPIIVWRW-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.23
Rot. Bonds7

About 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide

3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide (PubChem CID 67730836) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide.

Molecular Properties

Compound Name3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
PubChem CID67730836
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide
SMILESCC(c1ccc(OCc2cccc(Cl)c2)cc1)C(N)CC(N)=O
InChIInChI=1S/C18H21ClN2O2/c1-12(17(20)10-18(21)22)14-5-7-16(8-6-14)23-11-13-3-2-4-15(19)9-13/h2-9,12,17H,10-11,20H2,1H3,(H2,21,22)
InChIKeyAEFVDBJPIIVWRW-UHFFFAOYSA-N
XLogP3.23
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-4-[(3-chlorophenyl)methoxy]benzene
CID 103599968
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504
(2S)-2-amino-2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]acetic acid
CID 66513682
3-[(4-propan-2-ylphenoxy)methyl]benzohydrazide
CID 840752
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
3-hydroxy-3-(4-phenylmethoxyphenyl)propanamide
CID 110024303
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide?
The IUPAC name of 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide (CID 67730836) is 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide.
What is the SMILES notation for 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide?
The canonical SMILES for 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide is CC(c1ccc(OCc2cccc(Cl)c2)cc1)C(N)CC(N)=O.
What is the InChIKey of 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide?
The InChIKey is AEFVDBJPIIVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(17(20)10-18(21)22)14-5-7-16(8-6-14)23-11-13-3-2-4-15(19)9-13/h2-9,12,17H,10-11,20H2,1H3,(H2,21,22).
What are the key properties of 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide?
3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide has a molecular weight of 332.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-[(3-chlorophenyl)methoxy]phenyl]pentanamide is sourced from PubChem (CID 67730836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).