N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide

C19H22ClNO2 — CID 17179033

IUPACN-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-14-23-17-11-9-16(10-12-17)21-19(22)13-8-15-6-4-5-7-18(15)20/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKeyXSPHVTBUJAMFCT-UHFFFAOYSA-N
MW331.84 g/mol
LogP5.09
Rot. Bonds8

About N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide

N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide (PubChem CID 17179033) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
PubChem CID17179033
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide
SMILESCCCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-2-3-14-23-17-11-9-16(10-12-17)21-19(22)13-8-15-6-4-5-7-18(15)20/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,21,22)
InChIKeyXSPHVTBUJAMFCT-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)-N-(4-propoxyphenyl)propanamide
CID 17179035
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
3-(2-aminophenyl)-N-(4-heptoxyphenyl)propanamide
CID 54795522
N-(4-butoxyphenyl)butanamide
CID 4939679
3-(2-chlorophenyl)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]propanamide
CID 17179432
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
N-(4-decoxyphenyl)butanamide
CID 143303175
[4-[[4-[3-(2-chlorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108930688
3-(2-chlorophenyl)-N-[(3-hexoxyphenyl)carbamothioyl]propanamide
CID 17179421
4-butoxy-N-[(2-chlorophenyl)methyl]aniline
CID 54798799
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide?
The IUPAC name of N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide (CID 17179033) is N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide?
The canonical SMILES for N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide is CCCCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide?
The InChIKey is XSPHVTBUJAMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-2-3-14-23-17-11-9-16(10-12-17)21-19(22)13-8-15-6-4-5-7-18(15)20/h4-7,9-12H,2-3,8,13-14H2,1H3,(H,21,22).
What are the key properties of N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide?
N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide has a molecular weight of 331.84 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-3-(2-chlorophenyl)propanamide is sourced from PubChem (CID 17179033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).