4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide

C19H24ClN3O3 — CID 51145123

IUPAC4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCN(C)C(CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H24ClN3O3/c1-23(2)16(17-5-4-12-26-17)13-22-18(24)6-3-11-21-19(25)14-7-9-15(20)10-8-14/h4-5,7-10,12,16H,3,6,11,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyBCDMFUVDUQNSEP-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.86
Rot. Bonds9

About 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide

4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide (PubChem CID 51145123) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
PubChem CID51145123
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCN(C)C(CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H24ClN3O3/c1-23(2)16(17-5-4-12-26-17)13-22-18(24)6-3-11-21-19(25)14-7-9-15(20)10-8-14/h4-5,7-10,12,16H,3,6,11,13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyBCDMFUVDUQNSEP-UHFFFAOYSA-N
XLogP2.86
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 60933195
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
CID 119237285
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-iodobenzamide
CID 51145105
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
4-chloro-N-[3-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 7780349
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-fluorobenzamide;hydrochloride
CID 52985207
3-(2-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 43005118
(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 110302146
3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110302093
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
4-(5-chlorothiophen-2-yl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxobutanamide
CID 51162757

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide (CID 51145123) is 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide is CN(C)C(CNC(=O)CCCNC(=O)c1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is BCDMFUVDUQNSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-23(2)16(17-5-4-12-26-17)13-22-18(24)6-3-11-21-19(25)14-7-9-15(20)10-8-14/h4-5,7-10,12,16H,3,6,11,13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 377.87 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 51145123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).