4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C18H19ClN2O3 — CID 109045341

IUPAC4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-12-2-11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBXNXTSRVDNXCY-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.36
Rot. Bonds7

About 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 109045341) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
PubChem CID109045341
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-12-2-11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyKBXNXTSRVDNXCY-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-(3-methoxypropyl)-4-[(4-nitrobenzoyl)amino]benzamide
CID 17204997
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
3-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 54790791
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
4-(ethylamino)-N-(3-methoxypropyl)benzamide
CID 62167523
4-N-(4-acetylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045198
2-bromo-N-[4-(3-methoxypropylcarbamoyl)phenyl]benzamide
CID 17204993

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 109045341) is 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The InChIKey is KBXNXTSRVDNXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-12-2-11-20-17(22)13-3-5-14(6-4-13)18(23)21-16-9-7-15(19)8-10-16/h3-10H,2,11-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).