N,N-di(butan-2-yl)-2-chlorobenzamide

C15H22ClNO — CID 4225702

IUPACN,N-di(butan-2-yl)-2-chlorobenzamide
SMILESCCC(C)N(C(=O)c1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H22ClNO/c1-5-11(3)17(12(4)6-2)15(18)13-9-7-8-10-14(13)16/h7-12H,5-6H2,1-4H3
InChIKeySFUGRWOTXNRGFC-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.38
Rot. Bonds5

About N,N-di(butan-2-yl)-2-chlorobenzamide

N,N-di(butan-2-yl)-2-chlorobenzamide (PubChem CID 4225702) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-chlorobenzamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-chlorobenzamide
PubChem CID4225702
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN,N-di(butan-2-yl)-2-chlorobenzamide
SMILESCCC(C)N(C(=O)c1ccccc1Cl)C(C)CC
InChIInChI=1S/C15H22ClNO/c1-5-11(3)17(12(4)6-2)15(18)13-9-7-8-10-14(13)16/h7-12H,5-6H2,1-4H3
InChIKeySFUGRWOTXNRGFC-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis[(2R)-butan-2-yl]-2,6-dichlorobenzamide
CID 903787
3-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 82482408
2-[butan-2-yl(ethyl)amino]-1-(2-chlorophenyl)ethanone
CID 43796012
N,N-di(butan-2-yl)-2-chloro-5-nitrobenzamide
CID 4526092
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
N,N-bis[(2R)-butan-2-yl]-4-phenylbenzamide
CID 2169877
2-[(2-chlorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62823161
2-[butan-2-yl(butyl)amino]-1-(2-chlorophenyl)ethanone
CID 54941329
2-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 86982098
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 118246932
2-chloro-N-(2-hydroxyphenyl)-N-methylbenzamide
CID 141220013
2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159

Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-chlorobenzamide?
The IUPAC name of N,N-di(butan-2-yl)-2-chlorobenzamide (CID 4225702) is N,N-di(butan-2-yl)-2-chlorobenzamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-chlorobenzamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-chlorobenzamide is CCC(C)N(C(=O)c1ccccc1Cl)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-chlorobenzamide?
The InChIKey is SFUGRWOTXNRGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-5-11(3)17(12(4)6-2)15(18)13-9-7-8-10-14(13)16/h7-12H,5-6H2,1-4H3.
What are the key properties of N,N-di(butan-2-yl)-2-chlorobenzamide?
N,N-di(butan-2-yl)-2-chlorobenzamide has a molecular weight of 267.80 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-chlorobenzamide is sourced from PubChem (CID 4225702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).