N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

C14H16ClN3O3 — CID 131911195

IUPACN-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1c(Cl)cccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C14H16ClN3O3/c1-8-9(3-2-4-10(8)15)7-16-12(19)6-5-11-13(20)18-14(21)17-11/h2-4,11H,5-7H2,1H3,(H,16,19)(H2,17,18,20,21)/t11-/m0/s1
InChIKeyHAKGHLPMTYQVKK-NSHDSACASA-N
MW309.75 g/mol
LogP1.25
Rot. Bonds5

About N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 131911195) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID131911195
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESCc1c(Cl)cccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O
InChIInChI=1S/C14H16ClN3O3/c1-8-9(3-2-4-10(8)15)7-16-12(19)6-5-11-13(20)18-14(21)17-11/h2-4,11H,5-7H2,1H3,(H,16,19)(H2,17,18,20,21)/t11-/m0/s1
InChIKeyHAKGHLPMTYQVKK-NSHDSACASA-N
XLogP1.25
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Imidazolidinedione, 5-(p-chlorophenyl)-
CID 97124
Gsk1370319A
CID 67461788
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
CID 42615253
N-[(2-chlorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2478755
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 49864913
(2S)-N-[(2-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864948
(2S)-N-[(3-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864949

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 131911195) is N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is Cc1c(Cl)cccc1CNC(=O)CC[C@@H]1NC(=O)NC1=O.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is HAKGHLPMTYQVKK-NSHDSACASA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-9(3-2-4-10(8)15)7-16-12(19)6-5-11-13(20)18-14(21)17-11/h2-4,11H,5-7H2,1H3,(H,16,19)(H2,17,18,20,21)/t11-/m0/s1.
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 309.75 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 131911195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).