4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide

C14H21ClN2O — CID 43738776

IUPAC4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
SMILESCCC(CC)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-5-11(6-2)16-13-9-10(7-8-12(13)15)14(18)17(3)4/h7-9,11,16H,5-6H2,1-4H3
InChIKeyXFPMXFUIGMZVBG-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.64
Rot. Bonds5

About 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide

4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide (PubChem CID 43738776) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
PubChem CID43738776
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
SMILESCCC(CC)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-5-11(6-2)16-13-9-10(7-8-12(13)15)14(18)17(3)4/h7-9,11,16H,5-6H2,1-4H3
InChIKeyXFPMXFUIGMZVBG-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

methyl 4-chloro-3-(pentan-3-ylamino)benzoate
CID 43714787
4-chloro-3-[1-(furan-2-yl)propylamino]-N,N-dimethylbenzamide
CID 62633081
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
2-chloro-N,N-dimethyl-5-(pentan-3-ylamino)benzamide
CID 43709856
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
CID 43738706
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
4-amino-3-(1-cyclopropylbutan-2-ylamino)-N,N-dimethylbenzamide
CID 63994246
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
3-chloro-4-(pentan-3-ylamino)benzoic acid
CID 63087281
3-[1-(3-bromothiophen-2-yl)ethylamino]-4-chloro-N,N-dimethylbenzamide
CID 43789676
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide (CID 43738776) is 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide is CCC(CC)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide?
The InChIKey is XFPMXFUIGMZVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-5-11(6-2)16-13-9-10(7-8-12(13)15)14(18)17(3)4/h7-9,11,16H,5-6H2,1-4H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide?
4-chloro-N,N-dimethyl-3-(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 4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide is sourced from PubChem (CID 43738776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).