2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide

C14H21ClN2O — CID 43709856

IUPAC2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
SMILESCCC(CC)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O/c1-5-10(6-2)16-11-7-8-13(15)12(9-11)14(18)17(3)4/h7-10,16H,5-6H2,1-4H3
InChIKeyQPAJCRKXJAUPGZ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.64
Rot. Bonds5

About 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide

2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide (PubChem CID 43709856) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
PubChem CID43709856
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
SMILESCCC(CC)Nc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O/c1-5-10(6-2)16-11-7-8-13(15)12(9-11)14(18)17(3)4/h7-10,16H,5-6H2,1-4H3
InChIKeyQPAJCRKXJAUPGZ-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64631355
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116500994
5-[(2-amino-3-methylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide;hydrochloride
CID 119286908
2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
CID 111432348
2-chloro-5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-N,N-dimethylbenzamide
CID 122132710
2-chloro-5-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55674540
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide (CID 43709856) is 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide is CCC(CC)Nc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide?
The InChIKey is QPAJCRKXJAUPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-10(6-2)16-11-7-8-13(15)12(9-11)14(18)17(3)4/h7-10,16H,5-6H2,1-4H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide?
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide is sourced from PubChem (CID 43709856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).