3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide

C18H15Cl2N5O — CID 167806344

IUPAC3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(-c2nn[nH]n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N5O/c19-12-6-4-10-2-1-3-16(14(10)9-12)21-18(26)11-5-7-13(15(20)8-11)17-22-24-25-23-17/h4-9,16H,1-3H2,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyGIBLDPYNTBZSDV-MRXNPFEDSA-N
MW388.26 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide

3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 167806344) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID167806344
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC Name3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(-c2nn[nH]n2)c(Cl)c1
InChIInChI=1S/C18H15Cl2N5O/c19-12-6-4-10-2-1-3-16(14(10)9-12)21-18(26)11-5-7-13(15(20)8-11)17-22-24-25-23-17/h4-9,16H,1-3H2,(H,21,26)(H,22,23,24,25)/t16-/m1/s1
InChIKeyGIBLDPYNTBZSDV-MRXNPFEDSA-N
XLogP3.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
8-[(8-chloroisoquinoline-4-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 167753842
2-[[5-[(3,4-dichlorobenzoyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid
CID 19855469
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
5-[7-[(6-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 77452115
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-4-carboxamide
CID 17479306
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide (CID 167806344) is 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide is O=C(N[C@@H]1CCCc2ccc(Cl)cc21)c1ccc(-c2nn[nH]n2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is GIBLDPYNTBZSDV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c19-12-6-4-10-2-1-3-16(14(10)9-12)21-18(26)11-5-7-13(15(20)8-11)17-22-24-25-23-17/h4-9,16H,1-3H2,(H,21,26)(H,22,23,24,25)/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide?
3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 388.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-7-chloro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 167806344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).