N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide

C20H23ClN2O3 — CID 108941522

IUPACN-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
SMILESCCCCNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-12-22-19(24)13-20(25)23-17-8-10-18(11-9-17)26-14-15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCSEVMEURBIKTII-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.16
Rot. Bonds9

About N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide

N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide (PubChem CID 108941522) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide.

Molecular Properties

Compound NameN-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
PubChem CID108941522
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide
SMILESCCCCNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-12-22-19(24)13-20(25)23-17-8-10-18(11-9-17)26-14-15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCSEVMEURBIKTII-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-[acetyl(butyl)amino]-N-[4-[(4-chlorophenyl)methoxy]phenyl]acetamide
CID 113158789
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)propanamide
CID 19220831
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide?
The IUPAC name of N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide (CID 108941522) is N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide.
What is the SMILES notation for N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide?
The canonical SMILES for N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide is CCCCNC(=O)CC(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide?
The InChIKey is CSEVMEURBIKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-3-12-22-19(24)13-20(25)23-17-8-10-18(11-9-17)26-14-15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide?
N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide has a molecular weight of 374.87 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-[4-[(4-chlorophenyl)methoxy]phenyl]propanediamide is sourced from PubChem (CID 108941522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).