2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

C14H21ClN2O2 — CID 116500994

IUPAC2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCOCC(C)CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-11-5-6-13(15)12(7-11)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyAPXHRLGMKFIGJN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.74
Rot. Bonds6

About 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide

2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (PubChem CID 116500994) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
PubChem CID116500994
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
SMILESCOCC(C)CNc1ccc(Cl)c(C(=O)N(C)C)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-11-5-6-13(15)12(7-11)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3
InChIKeyAPXHRLGMKFIGJN-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(3-methoxy-2-methylpropyl)amino]benzoic acid
CID 116501087
4-chloro-2-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 116501092
2-chloro-5-(2,3-dihydroxypropylamino)-N,N-dimethylbenzamide
CID 168593187
2-chloro-4-[(3-methoxy-2-methylpropyl)amino]phenol
CID 107678691
4-chloro-3-methoxy-N-(3-methoxy-2-methylpropyl)aniline
CID 107272154
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
3-chloro-N-(3-methoxy-2-methylpropyl)-4-propan-2-yloxyaniline
CID 116501045
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
2-chloro-N,N-dimethyl-5-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64631355
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
2-chloro-N,N-dimethyl-5-[(5-methylfuran-2-yl)methylamino]benzamide
CID 43709786
2-[4-[(3-methoxy-2-methylpropyl)amino]phenyl]acetamide
CID 116501032

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide (CID 116500994) is 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is COCC(C)CNc1ccc(Cl)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
The InChIKey is APXHRLGMKFIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(9-19-4)8-16-11-5-6-13(15)12(7-11)14(18)17(2)3/h5-7,10,16H,8-9H2,1-4H3.
What are the key properties of 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide?
2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide has a molecular weight of 284.79 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 116500994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).