N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide

C14H18Cl2N2O2 — CID 113051988

IUPACN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyYPZPFBIETKWHPK-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide

N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide (PubChem CID 113051988) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
PubChem CID113051988
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20)
InChIKeyYPZPFBIETKWHPK-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
2-[carboxy-[2-[(3,4-dichlorobenzoyl)amino]ethyl]amino]-4-methylpentanoic acid
CID 22143949
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113056706
3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide (CID 113051988) is N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide is CC(=O)N(CCNC(=O)c1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide?
The InChIKey is YPZPFBIETKWHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)7-6-17-14(20)11-4-5-12(15)13(16)8-11/h4-5,8-9H,6-7H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide?
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide has a molecular weight of 317.22 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 113051988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).