4-chloro-N,N-dimethyl-3-(pentylamino)benzamide

C14H21ClN2O — CID 43738706

IUPAC4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
SMILESCCCCCNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-5-6-9-16-13-10-11(7-8-12(13)15)14(18)17(2)3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyYMOUMFZILYOSBU-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.64
Rot. Bonds6

About 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide

4-chloro-N,N-dimethyl-3-(pentylamino)benzamide (PubChem CID 43738706) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
PubChem CID43738706
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-N,N-dimethyl-3-(pentylamino)benzamide
SMILESCCCCCNc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C14H21ClN2O/c1-4-5-6-9-16-13-10-11(7-8-12(13)15)14(18)17(2)3/h7-8,10,16H,4-6,9H2,1-3H3
InChIKeyYMOUMFZILYOSBU-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-(3-ethylsulfanylpropylamino)-N,N-dimethylbenzamide
CID 116503809
4-chloro-3-(pentylamino)benzamide
CID 43679378
4-chloro-3-(hexylamino)benzamide
CID 43679410
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
3-[[(2S)-2-aminohexanoyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 107143904
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
4-chloro-N,N-dimethyl-3-(pyridin-4-ylmethylamino)benzamide
CID 43738745
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
4-chloro-3-(pentylcarbamoylamino)benzoic acid
CID 61181680
4-chloro-3-[(4-chlorothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 79419901
1-[4-chloro-3-(3-hydroxypropylamino)phenyl]ethanone
CID 82535645
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide (CID 43738706) is 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide is CCCCCNc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide?
The InChIKey is YMOUMFZILYOSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-5-6-9-16-13-10-11(7-8-12(13)15)14(18)17(2)3/h7-8,10,16H,4-6,9H2,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-3-(pentylamino)benzamide?
4-chloro-N,N-dimethyl-3-(pentylamino)benzamide has a molecular weight of 268.79 g/mol, XLogP of 3.64, 6 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-(pentylamino)benzamide is sourced from PubChem (CID 43738706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).