N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide

C15H20ClIN2O3 — CID 55947023

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C15H20ClIN2O3/c1-4-9(2)19-14(20)5-6-18-15(21)10-7-11(16)12(17)8-13(10)22-3/h7-9H,4-6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGQWQBCHQLXLNBC-UHFFFAOYSA-N
MW438.69 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide (PubChem CID 55947023) has the molecular formula C15H20ClIN2O3 and a molecular weight of 438.69 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
PubChem CID55947023
Molecular FormulaC15H20ClIN2O3
Molecular Weight438.69 g/mol
Exact Mass438.02
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(Cl)c(I)cc1OC
InChIInChI=1S/C15H20ClIN2O3/c1-4-9(2)19-14(20)5-6-18-15(21)10-7-11(16)12(17)8-13(10)22-3/h7-9H,4-6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyGQWQBCHQLXLNBC-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.69
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881
5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
5-chloro-N-(3-hydroxy-4-methoxybutyl)-4-iodo-2-methoxybenzamide
CID 103877149
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
propan-2-yl 2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]acetate
CID 56546801
5-chloro-N-(2-hydroxy-4-methylpentyl)-4-iodo-2-methoxybenzamide
CID 103771614
5-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-4-iodo-2-methoxybenzamide
CID 79253137
4-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-3-methoxybutanoic acid
CID 103153008
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodo-2-methoxybenzamide
CID 103770514
(2R)-2-[(5-chloro-4-iodo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975862

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide (CID 55947023) is N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide is CCC(C)NC(=O)CCNC(=O)c1cc(Cl)c(I)cc1OC.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide?
The InChIKey is GQWQBCHQLXLNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2O3/c1-4-9(2)19-14(20)5-6-18-15(21)10-7-11(16)12(17)8-13(10)22-3/h7-9H,4-6H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide has a molecular weight of 438.69 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide is sourced from PubChem (CID 55947023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).