1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea

C18H19ClN2O2 — CID 94052781

IUPAC1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1
InChIInChI=1S/C18H19ClN2O2/c1-18(2)11-15(14-5-3-4-6-16(14)23-18)21-17(22)20-13-9-7-12(19)8-10-13/h3-10,15H,11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeySVECGYNXELOJSD-OAHLLOKOSA-N
MW330.82 g/mol
LogP4.76
Rot. Bonds2

About 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea

1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea (PubChem CID 94052781) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
PubChem CID94052781
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
SMILESCC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1
InChIInChI=1S/C18H19ClN2O2/c1-18(2)11-15(14-5-3-4-6-16(14)23-18)21-17(22)20-13-9-7-12(19)8-10-13/h3-10,15H,11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1
InChIKeySVECGYNXELOJSD-OAHLLOKOSA-N
XLogP4.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]urea
CID 100690269
ethyl N-[4-[(4-chlorophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
CID 162644459
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 133204294
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
1-(4-chlorophenyl)-3-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719343
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
1-(4-chlorophenyl)-3-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100642276
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
1-(1,3-benzodioxol-5-yl)-3-(2,2-dimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133154476

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea (CID 94052781) is 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea is CC1(C)C[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2O1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea?
The InChIKey is SVECGYNXELOJSD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2)11-15(14-5-3-4-6-16(14)23-18)21-17(22)20-13-9-7-12(19)8-10-13/h3-10,15H,11H2,1-2H3,(H2,20,21,22)/t15-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea?
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea has a molecular weight of 330.82 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea is sourced from PubChem (CID 94052781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).