4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide

C17H27ClN2O — CID 43737653

IUPAC4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
SMILESCCCCCCC(C)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C17H27ClN2O/c1-5-6-7-8-9-13(2)19-16-12-14(18)10-11-15(16)17(21)20(3)4/h10-13,19H,5-9H2,1-4H3
InChIKeyPOASLUCQINUWCV-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.81
Rot. Bonds8

About 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide

4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide (PubChem CID 43737653) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
PubChem CID43737653
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide
SMILESCCCCCCC(C)Nc1cc(Cl)ccc1C(=O)N(C)C
InChIInChI=1S/C17H27ClN2O/c1-5-6-7-8-9-13(2)19-16-12-14(18)10-11-15(16)17(21)20(3)4/h10-13,19H,5-9H2,1-4H3
InChIKeyPOASLUCQINUWCV-UHFFFAOYSA-N
XLogP4.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008
2-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683758
methyl 2-[5-chloro-2-(dimethylcarbamoyl)anilino]propanoate
CID 66172721
5-chloro-2-hydrazinyl-N-octan-2-ylbenzamide
CID 62247800
4-chloro-2-nitro-N-octan-2-ylaniline
CID 43686347
2-(2-bromopropanoylamino)-4-chloro-N,N-dimethylbenzamide
CID 114014319
4-chloro-N,N-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60843063
3-[2-chloro-4-(hexadecan-2-ylamino)phenyl]-3-oxopropanoic acid
CID 54376544
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide (CID 43737653) is 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide is CCCCCCC(C)Nc1cc(Cl)ccc1C(=O)N(C)C.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide?
The InChIKey is POASLUCQINUWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-5-6-7-8-9-13(2)19-16-12-14(18)10-11-15(16)17(21)20(3)4/h10-13,19H,5-9H2,1-4H3.
What are the key properties of 4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide?
4-chloro-N,N-dimethyl-2-(octan-2-ylamino)benzamide has a molecular weight of 310.87 g/mol, XLogP of 4.81, 8 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-2-(octan-2-ylamino)benzamide is sourced from PubChem (CID 43737653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).