4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide

C18H20ClN3O3 — CID 60577488

IUPAC4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCCO)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(17(24)13-3-5-14(19)6-4-13)16-9-7-15(8-10-16)21-18(25)20-11-2-12-23/h3-10,23H,2,11-12H2,1H3,(H2,20,21,25)
InChIKeyDVIPYEKNYDCOEY-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.12
Rot. Bonds6

About 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide

4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide (PubChem CID 60577488) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
PubChem CID60577488
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCCO)cc1
InChIInChI=1S/C18H20ClN3O3/c1-22(17(24)13-3-5-14(19)6-4-13)16-9-7-15(8-10-16)21-18(25)20-11-2-12-23/h3-10,23H,2,11-12H2,1H3,(H2,20,21,25)
InChIKeyDVIPYEKNYDCOEY-UHFFFAOYSA-N
XLogP3.12
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
CID 60577820
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
4-chloro-N-[3-[(4-ethylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705311
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-[3-[benzyl(methyl)amino]propyl]-3-(4-chlorophenyl)urea
CID 46647437
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 60573055
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
3-[(4-chlorophenyl)carbamoylamino]-N-methyl-N-phenylbenzamide
CID 17227739
4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577748
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide (CID 60577488) is 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCCCO)cc1.
What is the InChIKey of 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide?
The InChIKey is DVIPYEKNYDCOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-22(17(24)13-3-5-14(19)6-4-13)16-9-7-15(8-10-16)21-18(25)20-11-2-12-23/h3-10,23H,2,11-12H2,1H3,(H2,20,21,25).
What are the key properties of 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide?
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide has a molecular weight of 361.83 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide is sourced from PubChem (CID 60577488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).