1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea

C19H21ClN2O2 — CID 132652579

IUPAC1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C19H21ClN2O2/c1-12-7-8-17-15(9-12)16(11-19(2,3)24-17)22-18(23)21-14-6-4-5-13(20)10-14/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyJEGNXUWAZOPQKS-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.07
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea

1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea (PubChem CID 132652579) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
PubChem CID132652579
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C19H21ClN2O2/c1-12-7-8-17-15(9-12)16(11-19(2,3)24-17)22-18(23)21-14-6-4-5-13(20)10-14/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyJEGNXUWAZOPQKS-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
CID 132654329
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746497
1-(3-bromophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155107
1-(4-chlorophenyl)-3-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]urea
CID 94052781
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
ethyl N-[4-[(4-chlorophenyl)carbamoylamino]-2,2-dimethyl-3,4-dihydrochromen-6-yl]carbamate
CID 162644459
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
1-(3-methoxyphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155109
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 133204294
1-(4-chlorophenyl)-3-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100719343

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea (CID 132652579) is 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea is Cc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea?
The InChIKey is JEGNXUWAZOPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-12-7-8-17-15(9-12)16(11-19(2,3)24-17)22-18(23)21-14-6-4-5-13(20)10-14/h4-10,16H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea?
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea has a molecular weight of 344.84 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea is sourced from PubChem (CID 132652579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).