1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

C19H23ClN2O2 — CID 108878608

IUPAC1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23ClN2O2/c1-12(2)15-8-5-6-11-18(15)24-14(4)21-19(23)22-17-10-7-9-16(20)13(17)3/h5-12,14H,1-4H3,(H2,21,22,23)
InChIKeyWTENBQRMKPFGLJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.32
Rot. Bonds5

About 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea

1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 108878608) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID108878608
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC(C)Oc1ccccc1C(C)C
InChIInChI=1S/C19H23ClN2O2/c1-12(2)15-8-5-6-11-18(15)24-14(4)21-19(23)22-17-10-7-9-16(20)13(17)3/h5-12,14H,1-4H3,(H2,21,22,23)
InChIKeyWTENBQRMKPFGLJ-UHFFFAOYSA-N
XLogP5.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878706
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-methylphenoxy)propanamide
CID 837792
(2R)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 54991184
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]propanoic acid
CID 28508515
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-bromophenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878820
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61183462
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
(2S)-3-(3-chloro-2-methylphenyl)-2-(2-propan-2-ylphenoxy)propanoic acid
CID 100536437
1-[1-(2-propan-2-ylphenoxy)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108878902

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea (CID 108878608) is 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is Cc1c(Cl)cccc1NC(=O)NC(C)Oc1ccccc1C(C)C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is WTENBQRMKPFGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12(2)15-8-5-6-11-18(15)24-14(4)21-19(23)22-17-10-7-9-16(20)13(17)3/h5-12,14H,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea?
1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 346.86 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 108878608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).