5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide

C24H25BrCl2N2O3 — CID 159973720

IUPAC5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide
SMILESCOCC=Cc1ccc(Cl)c(C(=O)NC2CC2)c1.O=C(NC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16ClNO2.C10H9BrClNO/c1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11;11-6-1-4-9(12)8(5-6)10(14)13-7-2-3-7/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17);1,4-5,7H,2-3H2,(H,13,14)
InChIKeyOEWPTOPFDYYINE-UHFFFAOYSA-N
MW540.29 g/mol
LogP5.89
Rot. Bonds7

About 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide

5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide (PubChem CID 159973720) has the molecular formula C24H25BrCl2N2O3 and a molecular weight of 540.29 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide
PubChem CID159973720
Molecular FormulaC24H25BrCl2N2O3
Molecular Weight540.29 g/mol
Exact Mass538.04
IUPAC Name5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide
SMILESCOCC=Cc1ccc(Cl)c(C(=O)NC2CC2)c1.O=C(NC1CC1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H16ClNO2.C10H9BrClNO/c1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11;11-6-1-4-9(12)8(5-6)10(14)13-7-2-3-7/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17);1,4-5,7H,2-3H2,(H,13,14)
InChIKeyOEWPTOPFDYYINE-UHFFFAOYSA-N
XLogP5.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.29
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-5-[(E)-3-methoxyprop-1-enyl]benzamide;2-chloro-N-cyclopropyl-5-(3-methoxypropyl)benzamide
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CID 43596539
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CID 115277460
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
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CID 63998181
5-bromo-2-fluoro-N-(4-propylcyclohexyl)benzamide
CID 63524250
4-bromo-N-(4-propylcyclohexyl)-2-sulfanylbenzamide
CID 107025667
5-bromo-N-cyclobutyl-2-methylbenzamide
CID 65309674
5-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 38655696

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide (CID 159973720) is 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide is COCC=Cc1ccc(Cl)c(C(=O)NC2CC2)c1.O=C(NC1CC1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide?
The InChIKey is OEWPTOPFDYYINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2.C10H9BrClNO/c1-18-8-2-3-10-4-7-13(15)12(9-10)14(17)16-11-5-6-11;11-6-1-4-9(12)8(5-6)10(14)13-7-2-3-7/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17);1,4-5,7H,2-3H2,(H,13,14).
What are the key properties of 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide?
5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide has a molecular weight of 540.29 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclopropylbenzamide;2-chloro-N-cyclopropyl-5-(3-methoxyprop-1-enyl)benzamide is sourced from PubChem (CID 159973720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).