N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

C16H20ClN3O4 — CID 131920491

IUPACN-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCCCOc1c(Cl)cccc1NC(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H20ClN3O4/c1-4-8-24-14-10(17)6-5-7-11(14)18-13(21)9-12-15(22)20(3)16(23)19(12)2/h5-7,12H,4,8-9H2,1-3H3,(H,18,21)
InChIKeyKEXGJKQOCAKHBD-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.35
Rot. Bonds6

About N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide

N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide (PubChem CID 131920491) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
PubChem CID131920491
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC NameN-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide
SMILESCCCOc1c(Cl)cccc1NC(=O)CC1C(=O)N(C)C(=O)N1C
InChIInChI=1S/C16H20ClN3O4/c1-4-8-24-14-10(17)6-5-7-11(14)18-13(21)9-12-15(22)20(3)16(23)19(12)2/h5-7,12H,4,8-9H2,1-3H3,(H,18,21)
InChIKeyKEXGJKQOCAKHBD-UHFFFAOYSA-N
XLogP2.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-propoxyphenyl)-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 131942501
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
N-(2,3-dichlorophenyl)-2-[(5S)-3-(2-methoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 2700513
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47081676
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
N-(3-chloro-2-ethoxyphenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51124680
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211911
N-(2,3-dichlorophenyl)-2-[2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 45143362

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide (CID 131920491) is N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide is CCCOc1c(Cl)cccc1NC(=O)CC1C(=O)N(C)C(=O)N1C.
What is the InChIKey of N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
The InChIKey is KEXGJKQOCAKHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-4-8-24-14-10(17)6-5-7-11(14)18-13(21)9-12-15(22)20(3)16(23)19(12)2/h5-7,12H,4,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide?
N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide has a molecular weight of 353.81 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-propoxyphenyl)-2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamide is sourced from PubChem (CID 131920491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).