N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide

C15H21Cl2NO — CID 903787

IUPACN,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
SMILESCC[C@@H](C)N(C(=O)c1c(Cl)cccc1Cl)[C@H](C)CC
InChIInChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3/t10-,11-/m1/s1
InChIKeyACZAVKVQOOZHDY-GHMZBOCLSA-N
MW302.24 g/mol
LogP5.03
Rot. Bonds5

About N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide

N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide (PubChem CID 903787) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
PubChem CID903787
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
SMILESCC[C@@H](C)N(C(=O)c1c(Cl)cccc1Cl)[C@H](C)CC
InChIInChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3/t10-,11-/m1/s1
InChIKeyACZAVKVQOOZHDY-GHMZBOCLSA-N
XLogP5.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.24
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-di(butan-2-yl)-2-chlorobenzamide
CID 4225702
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
CID 63659127
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
3-[butan-2-yl(ethyl)amino]-1-(2,3-dichlorophenyl)propan-1-one
CID 114079709
methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
2-bromo-1-(2-chloro-6-sulfanylphenyl)propan-1-one
CID 130883007
1-(2,6-dichlorophenyl)-2-methyldodecan-1-one
CID 67779214
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
2-chloro-N,N-diethyl-6-methylsulfanylbenzamide
CID 71442782
4-(2,6-dichlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415015

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide?
The IUPAC name of N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide (CID 903787) is N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide is CC[C@@H](C)N(C(=O)c1c(Cl)cccc1Cl)[C@H](C)CC.
What is the InChIKey of N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide?
The InChIKey is ACZAVKVQOOZHDY-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-5-10(3)18(11(4)6-2)15(19)14-12(16)8-7-9-13(14)17/h7-11H,5-6H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide?
N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide has a molecular weight of 302.24 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 903787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).