2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide

C43H73Cl2NO — CID 139819781

IUPAC2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C43H73Cl2NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-46(43(47)41-36-35-40(44)39-42(41)45)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3
InChIKeyRGUVFEHORMZMDN-UHFFFAOYSA-N
MW690.97 g/mol
LogP16.21
Rot. Bonds33

About 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide

2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide (PubChem CID 139819781) has the molecular formula C43H73Cl2NO and a molecular weight of 690.97 g/mol. Its IUPAC name is 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide
PubChem CID139819781
Molecular FormulaC43H73Cl2NO
Molecular Weight690.97 g/mol
Exact Mass689.51
IUPAC Name2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C43H73Cl2NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-46(43(47)41-36-35-40(44)39-42(41)45)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3
InChIKeyRGUVFEHORMZMDN-UHFFFAOYSA-N
XLogP16.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds33
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.97
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(octadec-1-enyl)carbamoyl]benzoic acid
CID 139819843
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
5-chloro-2-[[(Z)-docos-13-enoyl]amino]benzoic acid
CID 70363049
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
CID 158169372
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
1-(2,4-dichlorophenyl)-2-[methyl(pentyl)amino]propan-1-one
CID 43796048
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
(E)-1-(4-chlorophenyl)non-2-en-1-ol
CID 11184335

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide?
The IUPAC name of 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide (CID 139819781) is 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide?
The canonical SMILES for 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide is CCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide?
The InChIKey is RGUVFEHORMZMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H73Cl2NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-46(43(47)41-36-35-40(44)39-42(41)45)38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3.
What are the key properties of 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide?
2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide has a molecular weight of 690.97 g/mol, XLogP of 16.21, 33 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide is sourced from PubChem (CID 139819781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).