2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide

C28H34Cl2N2O4 — CID 69152844

IUPAC2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide
SMILESCOC/C=C/c1ccc(Cl)c(C(=O)NC2CC2)c1.COCCCc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18ClNO2.C14H16ClNO2/c2*1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,16,17);2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/b;3-2+
InChIKeySPDLQDJTMQLVTL-ZPYUXNTASA-N
MW533.50 g/mol
LogP5.70
Rot. Bonds11

About 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide

2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide (PubChem CID 69152844) has the molecular formula C28H34Cl2N2O4 and a molecular weight of 533.50 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide
PubChem CID69152844
Molecular FormulaC28H34Cl2N2O4
Molecular Weight533.50 g/mol
Exact Mass532.19
IUPAC Name2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide
SMILESCOC/C=C/c1ccc(Cl)c(C(=O)NC2CC2)c1.COCCCc1ccc(Cl)c(C(=O)NC2CC2)c1
InChIInChI=1S/C14H18ClNO2.C14H16ClNO2/c2*1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,16,17);2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/b;3-2+
InChIKeySPDLQDJTMQLVTL-ZPYUXNTASA-N
XLogP5.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.50
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide
CID 159973720
2-bromo-N-cyclopropyl-3,5-bis(3-methoxypropyl)benzamide
CID 66896622
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
N-[[2-ethyl-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
CID 66899598
methyl 2-chloro-5-(3-chloroprop-1-enyl)benzoate
CID 169477809
N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
CID 70313971
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
2,5-dichloro-N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 108554575
2-chloro-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-[[[(2E,4E)-5-chloro-2-methylhexa-2,4-dienoyl]amino]methyl]benzamide
CID 88958744
2-chloro-N-methyl-5-[(E)-pent-1-enyl]benzamide
CID 56721101
5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide (CID 69152844) is 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide is COC/C=C/c1ccc(Cl)c(C(=O)NC2CC2)c1.COCCCc1ccc(Cl)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide?
The InChIKey is SPDLQDJTMQLVTL-ZPYUXNTASA-N. The full InChI is InChI=1S/C14H18ClNO2.C14H16ClNO2/c2*1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11/h4,7,9,11H,2-3,5-6,8H2,1H3,(H,16,17);2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/b;3-2+.
What are the key properties of 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide?
2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide has a molecular weight of 533.50 g/mol, XLogP of 5.70, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide is sourced from PubChem (CID 69152844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).