N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide

C18H20ClN3O3 — CID 108878043

IUPACN-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-16(8-12(2)17(11)19)25-10-20-18(24)22-15-6-4-5-14(9-15)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyMFIDHOGUDHTDJW-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.07
Rot. Bonds5

About N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide

N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide (PubChem CID 108878043) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide
PubChem CID108878043
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H20ClN3O3/c1-11-7-16(8-12(2)17(11)19)25-10-20-18(24)22-15-6-4-5-14(9-15)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H2,20,22,24)
InChIKeyMFIDHOGUDHTDJW-UHFFFAOYSA-N
XLogP4.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzamide
CID 108878087
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,6-diethylphenyl)urea
CID 108877931
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-chloro-4-fluorophenyl)urea
CID 108878088
1-(3-acetylphenyl)-3-[(4-chlorophenoxy)methyl]urea
CID 108885167
methyl 2-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzoate
CID 108877937
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2-cyanophenyl)urea
CID 108877870
1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(2-amino-4-methylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878155
N-[3-[2-(2,3,6-trimethylphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112974359
1-benzhydryl-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108877907
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
CID 108877934
1-(2-butan-2-ylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878147

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide (CID 108878043) is N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is MFIDHOGUDHTDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-11-7-16(8-12(2)17(11)19)25-10-20-18(24)22-15-6-4-5-14(9-15)21-13(3)23/h4-9H,10H2,1-3H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide?
N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 361.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).